CAS RN: 130628-38-5
CAS Name: 1-[6-(1-aziridinyl)hexyl]-2-(4-hydroxyphenyl)-3-methyl-5-indolol
OPENEYE Name: 1-[6-(aziridin-1-yl)hexyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol
IUPAC Name: 1-[6-(aziridin-1-yl)hexyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
SYSTEMATIC NAME: 1-[6-(aziridin-1-yl)hexyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol
MOLECULAR FORMULA: C23H28N2O2
MOLECULAR WEIGHT: 364.48062
SMILES: CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCN3CC3)C4=CC=C(C=C4)O
Structure:
CAS RN: 130622-31-0
CAS Name: (2R,3R,4S,5S,6R)-2-phenylmethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-benzyloxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-phenylmethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-phenylmethoxy-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C18H26O10
MOLECULAR WEIGHT: 402.39304
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)O)O
Structure:
CAS RN: 130613-17-1
CAS Name: 4-(carboxymethoxy)-5,7-dichloro-2-quinolinecarboxylic acid
OPENEYE Name: 4-(carboxymethoxy)-5,7-dichloro-quinoline-2-carboxylic acid
IUPAC Name: 4-(carboxymethoxy)-5,7-dichloroquinoline-2-carboxylic acid
SYSTEMATIC NAME: 5,7-bis(chloranyl)-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
MOLECULAR FORMULA: C12H7Cl2NO5
MOLECULAR WEIGHT: 316.09368
SMILES: C1=C(C=C2C(=C1Cl)C(=CC(=N2)C(=O)O)OCC(=O)O)Cl
Structure:
CAS RN: 130613-18-2
CAS Name: 4-(carboxymethylamino)-5,7-dichloro-2-quinolinecarboxylic acid
OPENEYE Name: 4-(carboxymethylamino)-5,7-dichloro-quinoline-2-carboxylic acid
IUPAC Name: 4-(carboxymethylamino)-5,7-dichloroquinoline-2-carboxylic acid
SYSTEMATIC NAME: 5,7-bis(chloranyl)-4-(2-hydroxy-2-oxoethylamino)quinoline-2-carboxylic acid
MOLECULAR FORMULA: C12H8Cl2N2O4
MOLECULAR WEIGHT: 315.10892
SMILES: C1=C(C=C2C(=C1Cl)C(=CC(=N2)C(=O)O)NCC(=O)O)Cl
Structure:
CAS RN: 130611-21-1
CAS Name: 2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol hydrochloride
OPENEYE Name: 2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-chroman-6-ol hydrochloride
IUPAC Name: 2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol hydrochloride
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol hydrochloride
MOLECULAR FORMULA: C17H28ClNO2
MOLECULAR WEIGHT: 313.86272
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)CCN(C)C)C)O.Cl
Structure:
CAS RN: 130605-12-8
CAS Name: N,N'-bis[2-(10-methoxy-7,7a-dihydropyrido[4,3-c]carbazol-7-ium-2-yl)ethyl]hexane-1,6-diamine
OPENEYE Name: N,N'-bis[2-(10-methoxy-7,7a-dihydropyrido[4,3-c]carbazol-7-ium-2-yl)ethyl]hexane-1,6-diamine
IUPAC Name: N,N'-bis[2-(10-methoxy-7,7a-dihydropyrido[4,3-c]carbazol-7-ium-2-yl)ethyl]hexane-1,6-diamine
SYSTEMATIC NAME: N,N'-bis[2-(10-methoxy-7,7a-dihydropyrido[4,3-c]carbazol-7-ium-2-yl)ethyl]hexane-1,6-diamine
MOLECULAR FORMULA: C42H50N6O2+2
MOLECULAR WEIGHT: 670.8854
SMILES: COC1=CC2=C3C(=CC=C4C3=CN(C=C4)CCNCCCCCCNCCN5C=CC6=CC=C7C(=C8C=C(C=CC8[NH2+]7)OC)C6=C5)[NH2+]C2C=C1
Structure:
CAS RN: 130602-28-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14Cl2N2O
MOLECULAR WEIGHT: 285.16906
SMILES: CC(C)NC(=O)C1(C2C3C1C4C3(C2C4Cl)C#N)Cl
Structure:
CAS RN: 130592-19-7
CAS Name: (7S,9S)-6,9,11-trihydroxy-7-[[(2R,4S,6R)-4-hydroxy-6-methyl-2-oxanyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9S)-4-methoxy-7-[(2R,4S,6R)-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H28O11
MOLECULAR WEIGHT: 528.50462
SMILES: C[C@@H]1C[C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)O
Structure:
CAS RN: 130573-54-5
CAS Name: 1-[(2S,3R)-2-hydroxynonan-3-yl]-4-imidazolecarboxamide
OPENEYE Name: 1-[(1R)-1-[(1S)-1-hydroxyethyl]heptyl]imidazole-4-carboxamide
IUPAC Name: 1-[(2S,3R)-2-hydroxynonan-3-yl]imidazole-4-carboxamide
SYSTEMATIC NAME: 1-[(2S,3R)-2-oxidanylnonan-3-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C13H23N3O2
MOLECULAR WEIGHT: 253.34062
SMILES: CCCCCC[C@H]([C@H](C)O)N1C=C(N=C1)C(=O)N
Structure:
CAS RN: 130573-32-9
CAS Name: 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)ethyl-trimethylammonium; 4-methylbenzenesulfonate
OPENEYE Name: 2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-trimethyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-methylbenzenesulfonate; trimethyl-[2-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)ethyl]azanium
MOLECULAR FORMULA: C25H37NO5S
MOLECULAR WEIGHT: 463.62998
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2CCC(OC2=C1C)(C)CC[N+](C)(C)C)C)O
Structure:
CAS RN: 130566-56-2
CAS Name: 2-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]benzoic acid propan-2-yl ester hydrochloride
OPENEYE Name: isopropyl 2-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzoate hydrochloride
IUPAC Name: propan-2-yl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride
SYSTEMATIC NAME: propan-2-yl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate hydrochloride
MOLECULAR FORMULA: C24H30ClNO4
MOLECULAR WEIGHT: 431.9523
SMILES: CC(C)OC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl
Structure:
CAS RN: 130549-78-9
CAS Name: propanoic acid [1-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-4-phenyl-4-piperidinyl] ester
OPENEYE Name: [1-[4-(4-fluorophenyl)-4-oxo-butyl]-3-methyl-4-phenyl-4-piperidyl] propanoate
IUPAC Name: [1-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-4-phenylpiperidin-4-yl] propanoate
SYSTEMATIC NAME: [1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3-methyl-4-phenyl-piperidin-4-yl] propanoate
MOLECULAR FORMULA: C25H30FNO3
MOLECULAR WEIGHT: 411.509003
SMILES: CCC(=O)OC1(CCN(CC1C)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
Structure:
CAS RN: 130518-25-1
CAS Name: N-acetyl-N-[1-(1,3-dioxo-2-indenylidene)ethylamino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-acetyl-N-[1-(1,3-dioxoindan-2-ylidene)ethylamino]carbamate
IUPAC Name: ethyl N-acetyl-N-[1-(1,3-dioxoinden-2-ylidene)ethylamino]carbamate
SYSTEMATIC NAME: ethyl N-[1-[1,3-bis(oxidanylidene)inden-2-ylidene]ethylamino]-N-ethanoyl-carbamate
MOLECULAR FORMULA: C16H16N2O5
MOLECULAR WEIGHT: 316.30864
SMILES: CCOC(=O)N(C(=O)C)NC(=C1C(=O)C2=CC=CC=C2C1=O)C
Structure:
CAS RN: 130504-77-7
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[12-(3-iodophenyl)dodecoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodophenyl)dodecoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-3-[12-(3-iodanylphenyl)dodecoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C45H73IO
MOLECULAR WEIGHT: 756.96499
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCCCCCCCCCCCC5=CC(=CC=C5)I)C)C
Structure:
CAS RN: 130504-76-6
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-[(3-iodophenyl)methoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodophenyl)methoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-3-[(3-iodanylphenyl)methoxy]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C34H51IO
MOLECULAR WEIGHT: 602.67261
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCC5=CC(=CC=C5)I)C)C
Structure:
CAS RN: 130488-05-0
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C15H30N4O5
MOLECULAR WEIGHT: 346.4225
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N
Structure:
CAS RN: 130482-21-2
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(2-iodoethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-2-(2-iodoethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(2-iodoethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-(2-iodanylethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C25H29FIN3O2
MOLECULAR WEIGHT: 549.419533
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCI)CCCC(=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 130468-11-0
CAS Name: 2,2-dimethylbutanoic acid [(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] ester
OPENEYE Name: [(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
IUPAC Name: [(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-6-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
SYSTEMATIC NAME: [(1S,7S,8S,8aS)-3,7-dimethyl-6-oxidanylidene-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
MOLECULAR FORMULA: C25H36O6
MOLECULAR WEIGHT: 432.54974
SMILES: CCC(C)(C)C(=O)O[C@H]1CC(=CC2=CC(=O)[C@H]([C@H]([C@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C
Structure:
CAS RN: 130464-79-8
CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-pentylcyclohexanecarboxylate
IUPAC Name: [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-pentylcyclohexane-1-carboxylate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-pentylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C31H48O3
MOLECULAR WEIGHT: 468.71102
SMILES: CCCCCC1CCC(CC1)C(=O)O[C@H]2CC[C@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C
Structure:
CAS RN: 130445-58-8
CAS Name: N-[(5-methoxy-1-methyl-2-indolyl)methyl]-2-propyn-1-amine
OPENEYE Name: N-[(5-methoxy-1-methyl-indol-2-yl)methyl]prop-2-yn-1-amine
IUPAC Name: N-[(5-methoxy-1-methylindol-2-yl)methyl]prop-2-yn-1-amine
SYSTEMATIC NAME: N-[(5-methoxy-1-methyl-indol-2-yl)methyl]prop-2-yn-1-amine
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: CN1C2=C(C=C(C=C2)OC)C=C1CNCC#C
Structure:
CAS RN: 130445-52-2
CAS Name: N-[(5-methoxy-1-methyl-2-indolyl)methyl]-N-methyl-2-propyn-1-amine hydrochloride
OPENEYE Name: N-[(5-methoxy-1-methyl-indol-2-yl)methyl]-N-methyl-prop-2-yn-1-amine hydrochloride
IUPAC Name: N-[(5-methoxy-1-methylindol-2-yl)methyl]-N-methylprop-2-yn-1-amine hydrochloride
SYSTEMATIC NAME: N-[(5-methoxy-1-methyl-indol-2-yl)methyl]-N-methyl-prop-2-yn-1-amine hydrochloride
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: CN1C2=C(C=C(C=C2)OC)C=C1CN(C)CC#C.Cl
Structure:
CAS RN: 130434-40-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21BrFNO2
MOLECULAR WEIGHT: 394.277943
SMILES: CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)F)C(=C(C=C4)O)O.Br
Structure:
CAS RN: 130432-17-6
CAS Name: (2R)-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-mercaptopropanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-sulfanyl-propanoate
IUPAC Name: ethyl (2R)-2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-3-sulfanylpropanoate
SYSTEMATIC NAME: ethyl (2R)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-sulfanyl-propanoate
MOLECULAR FORMULA: C10H18N2O6S
MOLECULAR WEIGHT: 294.32472
SMILES: CCOC(=O)[C@H](CS)NC(=O)C(C)(C)CO[N+](=O)[O-]
Structure:
CAS RN: 130404-00-1
CAS Name: 5-hydroxy-4-phenylpentanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide
OPENEYE Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-hydroxy-4-phenyl-pentanoate iodide
IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-hydroxy-4-phenylpentanoate iodide
SYSTEMATIC NAME: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-oxidanyl-4-phenyl-pentanoate iodide
MOLECULAR FORMULA: C20H30INO3
MOLECULAR WEIGHT: 459.36157
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)CCC(CO)C3=CC=CC=C3)C.[I-]
Structure:
CAS RN: 130399-79-0
CAS Name: benzoic acid [(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
IUPAC Name: [(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
SYSTEMATIC NAME: [(8S,9S,10R,13S,14S,17R)-17-[2,2-bis(oxidanyl)ethanoyl]-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
MOLECULAR FORMULA: C28H32O7
MOLECULAR WEIGHT: 480.54948
SMILES: C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C(O)O)OC(=O)C4=CC=CC=C4)CCC5=CC(=O)C=C[C@]35C)O
Structure:
CAS RN: 130378-74-4
CAS Name: 1-[2-[4-(3-phenyl-2H-1-benzopyran-2-yl)phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-(3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C27H27NO2
MOLECULAR WEIGHT: 397.50878
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3C(=CC4=CC=CC=C4O3)C5=CC=CC=C5
Structure:
CAS RN: 81-13-0
CAS Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
OPENEYE Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide
IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
SYSTEMATIC NAME: (2R)-3,3-dimethyl-2,4-bis(oxidanyl)-N-(3-oxidanylpropyl)butanamide
MOLECULAR FORMULA: C9H19NO4
MOLECULAR WEIGHT: 205.25146
SMILES: CC(C)(CO)[C@H](C(=O)NCCCO)O
Structure:
CAS RN: 130377-60-5
CAS Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (2R)-2,4-dihyd
OPENEYE Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (2R)-2,4-dihydroxy-
IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol; 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (2R)-2,4-dihydroxy-
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one; (
MOLECULAR FORMULA: C56H77Cl4N3O12
MOLECULAR WEIGHT: 1126.03548
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O.CC(C)(CO)[C@H](C(=O)NCCCO)O.C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl.Cl
Structure:
CAS RN: 130369-86-7
CAS Name: 3-hexyl-1-cyclobutanecarboxylic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-hexylcyclobutanecarboxylate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-hexylcyclobutane-1-carboxylate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-hexylcyclobutane-1-carboxylate
MOLECULAR FORMULA: C30H46O3
MOLECULAR WEIGHT: 454.68444
SMILES: CCCCCCC1CC(C1)C(=O)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C
Structure:
CAS RN: 130365-59-2
CAS Name: (2S)-2-[[[(2S)-1-[2-[[hydroxy(2-phenylethyl)phosphoryl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[2-[[hydroxy(2-phenylethyl)phosphoryl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[2-[[hydroxy(2-phenylethyl)phosphoryl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[2-[[oxidanyl(2-phenylethyl)phosphoryl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid
MOLECULAR FORMULA: C21H32N3O6P
MOLECULAR WEIGHT: 453.469041
SMILES: CCCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNP(=O)(CCC2=CC=CC=C2)O
Structure:
CAS RN: 130364-39-5
CAS Name: (1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
OPENEYE Name: (1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
IUPAC Name: (1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: (1S,3S)-8-methoxy-3-methyl-1-oxidanyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C20H18O4
MOLECULAR WEIGHT: 322.35452
SMILES: C[C@@H]1C[C@@H](C2=C(C1)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC)O
Structure:
CAS RN: 130364-33-9
CAS Name: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene
OPENEYE Name: O2-methyl O4a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-
IUPAC Name: 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,6a,6b
SYSTEMATIC NAME: O4a-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] O2-methyl (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-9-(hydroxymethyl)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]o
MOLECULAR FORMULA: C48H76O20
MOLECULAR WEIGHT: 973.10504
SMILES: C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC
Structure:
CAS RN: 130359-85-2
CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)-2-oxolanyl]-6-purinyl]benzamide
OPENEYE Name: N-[9-[(2R,4S,5R)-5-(benzyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide
IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
SYSTEMATIC NAME: N-[9-[(2R,4S,5R)-4-oxidanyl-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
MOLECULAR FORMULA: C24H23N5O4
MOLECULAR WEIGHT: 445.47052
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)COCC5=CC=CC=C5)O
Structure:
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