Monday, October 1, 2012

http://ChemLookup.com Compounds



CAS RN: 305-30-6
CAS Name: N'-phenylbenzenecarboximidamide hydrochloride
OPENEYE Name: N'-phenylbenzamidine hydrochloride
IUPAC Name: N'-phenylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: N'-phenylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C13H13ClN2
MOLECULAR WEIGHT: 232.70872
SMILES: C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N.Cl
Structure:
CAS RN: 198-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12
MOLECULAR WEIGHT: 252.30928
SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC4=CC5=C3C2=CC=C5
Structure:
CAS RN: 151-69-9
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H29ClO4
MOLECULAR WEIGHT: 404.92696
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
Structure:
CAS RN: 151-68-8
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C
Structure:
CAS RN: 131-04-4
CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
OPENEYE Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[OH-]
Structure:
CAS RN: 72-51-5
CAS Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
OPENEYE Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
IUPAC Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
SYSTEMATIC NAME: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
MOLECULAR FORMULA: C29H34INO3
MOLECULAR WEIGHT: 571.48963
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)OC.I
Structure:
CAS RN: 64-93-7
CAS Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C28H32ClNO2
MOLECULAR WEIGHT: 450.01218
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=C(C=C3)OC)C4=CC=CC=C4.Cl
Structure:
CAS RN: 64-91-5
CAS Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C28H32ClNO2
MOLECULAR WEIGHT: 450.01218
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 57-16-9
CAS Name: acetic acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O)C
Structure:
CAS RN: 53-44-1
CAS Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
OPENEYE Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
IUPAC Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
SYSTEMATIC NAME: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OCCC#N)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 52-47-1
CAS Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluoroethenyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
OPENEYE Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluorovinyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
IUPAC Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluoroethenyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
SYSTEMATIC NAME: 2-ethynyl-3a,5a-dimethyl-6-[1,2,2-tris(fluoranyl)ethenyl]-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
MOLECULAR FORMULA: C22H29F3O2
MOLECULAR WEIGHT: 382.45967
SMILES: CC12CCC3C(C1CCC2(C(=C(F)F)F)O)CCC4C3(CC(C4)(C#C)O)C
Structure:
CAS RN: 338752-31-1
CAS Name: 5-chloro-N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine; hydrochloride
OPENEYE Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide; 3-(diaminomethylene)-1,1-dimethyl-guanidine; hydrochloride
IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine; hydrochloride
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 5-chloranyl-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide; hydrochloride
MOLECULAR FORMULA: C27H40Cl2N8O5S
MOLECULAR WEIGHT: 659.6281
SMILES: CN(C)C(=N)N=C(N)N.COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3.Cl
Structure:
CAS RN: 206362-00-7
CAS Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester
OPENEYE Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamate
IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
SYSTEMATIC NAME: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
MOLECULAR FORMULA: C28H38N2O8S
MOLECULAR WEIGHT: 562.67492
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC
Structure:
CAS RN: 99592-39-9
CAS Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
OPENEYE Name: 1-[2-[(7-chlorobenzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
IUPAC Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
SYSTEMATIC NAME: 1-[2-[(7-chloranyl-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
MOLECULAR FORMULA: C20H16Cl3N3O4S
MOLECULAR WEIGHT: 500.78274
SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]
Structure:
CAS RN: 5658-50-4
CAS Name: 1-(3,4,5-trimethoxyphenyl)-1-propanone
OPENEYE Name: 1-(3,4,5-trimethoxyphenyl)propan-1-one
IUPAC Name: 1-(3,4,5-trimethoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3,4,5-trimethoxyphenyl)propan-1-one
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 5658-47-9
CAS Name: 2,2,11,11-tetramethyldodecane-1,12-diol
OPENEYE Name: 2,2,11,11-tetramethyldodecane-1,12-diol
IUPAC Name: 2,2,11,11-tetramethyldodecane-1,12-diol
SYSTEMATIC NAME: 2,2,11,11-tetramethyldodecane-1,12-diol
MOLECULAR FORMULA: C16H34O2
MOLECULAR WEIGHT: 258.43996
SMILES: CC(C)(CCCCCCCCC(C)(C)CO)CO
Structure:
CAS RN: 5638-47-1
CAS Name: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-thioxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
MOLECULAR FORMULA: C6H13Cl2N2OPS
MOLECULAR WEIGHT: 263.124981
SMILES: C1COP(=S)(N1)N(CCCl)CCCl
Structure:
CAS RN: 5638-46-0
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
MOLECULAR FORMULA: C6H13Cl2N2O2P
MOLECULAR WEIGHT: 247.059381
SMILES: C1COP(=O)(N1)N(CCCl)CCCl
Structure:
CAS RN: 5610-87-7
CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)-4-piperidinecarboxamide dihydrochloride
OPENEYE Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
SYSTEMATIC NAME: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
MOLECULAR FORMULA: C25H36Cl2N4O
MOLECULAR WEIGHT: 479.48554
SMILES: CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)N.Cl.Cl
Structure:
CAS RN: 5608-00-4
CAS Name: 1-(4-propoxyphenyl)-3-(1-pyrrolidinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-propoxyphenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride
IUPAC Name: 1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-propoxyphenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C16H24ClNO2
MOLECULAR WEIGHT: 297.82026
SMILES: CCCOC1=CC=C(C=C1)C(=O)CCN2CCCC2.Cl
Structure:

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http://ChemLookup.com Compounds



CAS RN: 856-84-8
CAS Name: 5,5-diphenyl-3-(1-piperidinylmethyl)imidazolidine-2,4-dione
OPENEYE Name: 5,5-diphenyl-3-(1-piperidylmethyl)imidazolidine-2,4-dione
IUPAC Name: 5,5-diphenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-diphenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: C1CCN(CC1)CN2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 856-51-9
CAS Name: N'-phenylcarbamimidothioic acid 5-[[amino(phenylimino)methyl]thio]pentyl ester dihydrobromide
OPENEYE Name: 3-phenyl-2-[5-(N'-phenylcarbamimidoyl)sulfanylpentyl]isothiourea dihydrobromide
IUPAC Name: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide
SYSTEMATIC NAME: 5-(N'-phenylcarbamimidoyl)sulfanylpentyl N'-phenylcarbamimidothioate dihydrobromide
MOLECULAR FORMULA: C19H26Br2N4S2
MOLECULAR WEIGHT: 534.37454
SMILES: C1=CC=C(C=C1)N=C(N)SCCCCCSC(=NC2=CC=CC=C2)N.Br.Br
Structure:
CAS RN: 852-55-1
CAS Name: N'-phenylcarbamimidothioic acid 3-[[amino(phenylimino)methyl]thio]propyl ester dihydrobromide
OPENEYE Name: 3-phenyl-2-[3-(N'-phenylcarbamimidoyl)sulfanylpropyl]isothiourea dihydrobromide
IUPAC Name: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide
SYSTEMATIC NAME: 3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-phenylcarbamimidothioate dihydrobromide
MOLECULAR FORMULA: C17H22Br2N4S2
MOLECULAR WEIGHT: 506.32138
SMILES: C1=CC=C(C=C1)N=C(N)SCCCSC(=NC2=CC=CC=C2)N.Br.Br
Structure:
CAS RN: 835-93-8
CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-1-propanone hydrochloride
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one hydrochloride
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C12H16ClNO3
MOLECULAR WEIGHT: 257.71334
SMILES: CN(C)CCC(=O)C1=CC2=C(C=C1)OCO2.Cl
Structure:
CAS RN: 803-57-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H11FN4
MOLECULAR WEIGHT: 338.337243
SMILES: C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)F)C5=NC6=CC=CC=C6C(=N2)N35
Structure:
CAS RN: 802-81-3
CAS Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-6-chloro-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-6-chloranyl-17-ethanoyl-17-ethyl-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H31ClO2
MOLECULAR WEIGHT: 374.94404
SMILES: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)C(=O)C
Structure:
CAS RN: 768-87-6
CAS Name: (1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol
OPENEYE Name: (1-thioxo-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol
IUPAC Name: (1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol
SYSTEMATIC NAME: (1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol
MOLECULAR FORMULA: C5H9O4PS
MOLECULAR WEIGHT: 196.161321
SMILES: C1C2(COP(=S)(O1)OC2)CO
Structure:
CAS RN: 764-65-8
CAS Name: hexanedioate
OPENEYE Name: hexanedioate
IUPAC Name: hexanedioate
SYSTEMATIC NAME: hexanedioate
MOLECULAR FORMULA: C6H8O4-2
MOLECULAR WEIGHT: 144.12532
SMILES: C(CCC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 673-37-0
CAS Name: N-(2-fluoroethyl)cyclohexanamine hydrochloride
OPENEYE Name: N-(2-fluoroethyl)cyclohexanamine hydrochloride
IUPAC Name: N-(2-fluoroethyl)cyclohexanamine hydrochloride
SYSTEMATIC NAME: N-(2-fluoranylethyl)cyclohexanamine hydrochloride
MOLECULAR FORMULA: C8H17ClFN
MOLECULAR WEIGHT: 181.678683
SMILES: C1CCC(CC1)NCCF.Cl
Structure:
CAS RN: 645-58-9
CAS Name: 2-(4-methoxyphenyl)ethanamine hydrochloride
OPENEYE Name: 2-(4-methoxyphenyl)ethanamine hydrochloride
IUPAC Name: 2-(4-methoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C9H14ClNO
MOLECULAR WEIGHT: 187.66656
SMILES: COC1=CC=C(C=C1)CCN.Cl
Structure:
CAS RN: 606-93-9
CAS Name: 1-ethyl-2,6-dimethylquinolin-1-ium iodide
OPENEYE Name: 1-ethyl-2,6-dimethyl-quinolin-1-ium iodide
IUPAC Name: 1-ethyl-2,6-dimethylquinolin-1-ium iodide
SYSTEMATIC NAME: 1-ethyl-2,6-dimethyl-quinolin-1-ium iodide
MOLECULAR FORMULA: C13H16IN
MOLECULAR WEIGHT: 313.17731
SMILES: CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C.[I-]
Structure:
CAS RN: 606-30-4
CAS Name: 6-ethoxy-1-ethyl-2,4-dimethylquinolin-1-ium iodide
OPENEYE Name: 6-ethoxy-1-ethyl-2,4-dimethyl-quinolin-1-ium iodide
IUPAC Name: 6-ethoxy-1-ethyl-2,4-dimethylquinolin-1-ium iodide
SYSTEMATIC NAME: 6-ethoxy-1-ethyl-2,4-dimethyl-quinolin-1-ium iodide
MOLECULAR FORMULA: C15H20INO
MOLECULAR WEIGHT: 357.22987
SMILES: CC[N+]1=C(C=C(C2=C1C=CC(=C2)OCC)C)C.[I-]
Structure:
CAS RN: 604-58-0
CAS Name: benzoic acid [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate
IUPAC Name: [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate
SYSTEMATIC NAME: [(13S,14S)-13-methyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate
MOLECULAR FORMULA: C25H22O3
MOLECULAR WEIGHT: 370.44038
SMILES: C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 604-19-3
CAS Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6R,8S,9S,10R,13S,14S,17S)-17-acetyl-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6R,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-6-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C
Structure:
CAS RN: 602-83-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H40N2O6
MOLECULAR WEIGHT: 608.7233
SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C=C7O3)OC)OC)O)OC
Structure:
CAS RN: 602-54-0
CAS Name: 2-[4-[(1R,2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-N,N-diethylethanamine
OPENEYE Name: 2-[4-[(1R,2R)-2-(4-chlorophenyl)tetralin-1-yl]phenoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[4-[(1R,2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[4-[(1R,2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C28H32ClNO
MOLECULAR WEIGHT: 434.01278
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@H]2[C@@H](CCC3=CC=CC=C23)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 559-83-1
CAS Name: acetic acid [14-hydroxy-3-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [3-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Structure:
CAS RN: 31087-94-2
CAS Name: acetic acid [14-hydroxy-3-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [3-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Structure:
CAS RN: 559-82-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO8
MOLECULAR WEIGHT: 509.63222
SMILES: C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CC[C@H]6C(=O)[C@H](CC[C@@]6(C5(CC4(C3CN2C1)O)O)C)O)O)O)O)(C)O
Structure:
CAS RN: 550-96-9
CAS Name: N,N-diethyl-2-(2-methoxy-6-prop-2-enylphenoxy)ethanamine hydrochloride
OPENEYE Name: 2-(2-allyl-6-methoxy-phenoxy)-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-(2-methoxy-6-prop-2-enylphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-(2-methoxy-6-prop-2-enyl-phenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C16H26ClNO2
MOLECULAR WEIGHT: 299.83614
SMILES: CCN(CC)CCOC1=C(C=CC=C1OC)CC=C.Cl
Structure:
CAS RN: 547-92-2
CAS Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine trihydrochlor
OPENEYE Name: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine trihydrochlo
IUPAC Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine trihydrochloride
SYSTEMATIC NAME: 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine
MOLECULAR FORMULA: C21H42Cl3N7O13
MOLECULAR WEIGHT: 706.95628
SMILES: CN[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@@H](O[C@H]([C@@]2(C=O)O)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)N=C(N)N)O)N=C(N)N)CO)O)O.Cl.Cl.Cl
Structure:
CAS RN: 545-60-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33NO2
MOLECULAR WEIGHT: 343.50292
SMILES: CC1C2CCC3C(C2)(C1=O)CCC4C35CCCC4(CN6C5OCC6)C
Structure:
CAS RN: 517-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H18
MOLECULAR WEIGHT: 294.38902
SMILES: C1CC2=CC=CC3=C4C(=C5CCC1C5=C23)C=CC6=CC=CC=C64
Structure:
CAS RN: 510-65-6
CAS Name: (8R,9S,10S,13S,14S,17R)-17-hydroxy-10-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10S,13S,14S,17R)-10-(hydroxymethyl)-13-methyl-17-oxidanyl-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC[C@]34CO
Structure:
CAS RN: 434-18-4
CAS Name: (8S,9S,10R,13S,14S,17S)-17-(2-fluoro-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-(2-fluoroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(2-fluoroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-(2-fluoranylethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO2
MOLECULAR WEIGHT: 332.452163
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CF)CCC4=CC(=O)CC[C@]34C
Structure:
CAS RN: 425-51-4
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)OC(=O)C
Structure:
CAS RN: 377-26-4
CAS Name: acetic acid [(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8S,10S,13S,14S,17R)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8S,10S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-10,13-dimethyl-3,11-bis(oxidanylidene)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H29FO5
MOLECULAR WEIGHT: 404.471763
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)C3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)C)OC(=O)C
Structure:
CAS RN: 337-67-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O4
MOLECULAR WEIGHT: 344.44462
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C[C@H]5C4=CC(=O)O5)C)O
Structure:
CAS RN: 314-04-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H10F2N4
MOLECULAR WEIGHT: 356.327706
SMILES: C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)F)C5=NC6=C(C=C(C=C6)F)C(=N2)N35
Structure:
CAS RN: 313-96-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14N4O
MOLECULAR WEIGHT: 350.37276
SMILES: COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C5=NC6=CC=CC=C6C(=N2)N35
Structure:
CAS RN: 313-95-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H11FN4
MOLECULAR WEIGHT: 338.337243
SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=NC6=C(C=CC(=C6)F)C(=N2)N35
Structure:
CAS RN: 313-94-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H20N4
MOLECULAR WEIGHT: 376.4531
SMILES: CC(C)(C)C1=CC2=C3N=C4C=CC=CC4=C5N3C(=C6C=CC=CC6=N5)N=C2C=C1
Structure:
CAS RN: 313-93-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H16N4
MOLECULAR WEIGHT: 348.39994
SMILES: CCC1=CC2=C(C=C1)N=C3C4=CC=CC=C4N=C5N3C2=NC6=CC=CC=C65
Structure:
CAS RN: 1527-91-9
CAS Name: N'-phenylbenzenecarboximidamide
OPENEYE Name: N'-phenylbenzamidine
IUPAC Name: N'-phenylbenzenecarboximidamide
SYSTEMATIC NAME: N'-phenylbenzenecarboximidamide
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N
Structure:

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