CAS RN: 120634-86-8
CAS Name: 2-[[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanyl]oxy]-6-heptyl-4-hydroxybenzoic acid (3-heptyl-5-hydroxyphenyl) ester
OPENEYE Name: (3-heptyl-5-hydroxy-phenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-6-heptyl-4-hydroxy-benzoate
IUPAC Name: (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
SYSTEMATIC NAME: (3-heptyl-5-oxidanyl-phenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-heptyl-4-oxidanyl-benzoate
MOLECULAR FORMULA: C33H48O10
MOLECULAR WEIGHT: 604.72822
SMILES: CCCCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2CCCCCCC)O)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O)O)O)O
Structure:
CAS RN: 120666-35-5
CAS Name: 4-(2,3,4-trimethoxyphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(2,3,4-trimethoxyphenyl)benzoate
IUPAC Name: methyl 4-(2,3,4-trimethoxyphenyl)benzoate
SYSTEMATIC NAME: methyl 4-(2,3,4-trimethoxyphenyl)benzoate
MOLECULAR FORMULA: C17H18O5
MOLECULAR WEIGHT: 302.32182
SMILES: COC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC)OC)OC
Structure:
CAS RN: 120627-70-5
CAS Name: 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxobutyl]-N-methyl-4-piperidinecarboxamide
OPENEYE Name: 1-[4-[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]butanoyl]-N-methyl-piperidine-4-carboxamide
IUPAC Name: 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C23H37N3O3
MOLECULAR WEIGHT: 403.55818
SMILES: CCN(CCCC(=O)N1CCC(CC1)C(=O)NC)C(C)CC2=CC=C(C=C2)OC
Structure:
CAS RN: 120618-66-8
CAS Name: 2-(1-aziridinyl)-5-hydroxynaphthalene-1,4-dione
OPENEYE Name: 2-(aziridin-1-yl)-5-hydroxy-naphthalene-1,4-dione
IUPAC Name: 2-(aziridin-1-yl)-5-hydroxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-(aziridin-1-yl)-5-oxidanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3O
Structure:
CAS RN: 120615-25-0
CAS Name: N-(2-aminoethyl)-5-chloro-8-isoquinolinesulfonamide
OPENEYE Name: N-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide
IUPAC Name: N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
SYSTEMATIC NAME: N-(2-azanylethyl)-5-chloranyl-isoquinoline-8-sulfonamide
MOLECULAR FORMULA: C11H12ClN3O2S
MOLECULAR WEIGHT: 285.74988
SMILES: C1=CC(=C2C=CN=CC2=C1S(=O)(=O)NCCN)Cl
Structure:
CAS RN: 120615-22-7
CAS Name: sulfamic acid [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate
IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(3-aminocarbonyl-1,2,4-triazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate
MOLECULAR FORMULA: C8H13N5O7S
MOLECULAR WEIGHT: 323.28312
SMILES: C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)N)O)O)C(=O)N
Structure:
CAS RN: 120602-97-3
CAS Name: N-hydroxy-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
OPENEYE Name: 2-(4-benzyloxyphenyl)-N-hydroxy-N-methyl-acetamide
IUPAC Name: N-hydroxy-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
SYSTEMATIC NAME: N-methyl-N-oxidanyl-2-(4-phenylmethoxyphenyl)ethanamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CN(C(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2)O
Structure:
CAS RN: 120593-63-7
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-oxiranyl)ethoxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(oxiran-2-yl)ethoxy]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(oxiran-2-yl)ethoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[2-(oxiran-2-yl)ethoxy]oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C16H28O12
MOLECULAR WEIGHT: 412.38632
SMILES: C1C(O1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Structure:
CAS RN: 106308-44-5
CAS Name: 1-[(2,6-difluorophenyl)methyl]-4-triazolecarboxamide
OPENEYE Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide
IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide
SYSTEMATIC NAME: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C10H8F2N4O
MOLECULAR WEIGHT: 238.193526
SMILES: C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F
Structure:
CAS RN: 120592-89-4
CAS Name: butanoic acid [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-2-(1-piperidinyl)-16-(1-prop-2-enyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,10S,13S,16S,17R)-3-acetoxy-16-(1-allylpiperidin-1-ium-1-yl)-10,13-dimethyl-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
IUPAC Name: [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
SYSTEMATIC NAME: [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
MOLECULAR FORMULA: C38H63BrN2O4
MOLECULAR WEIGHT: 691.82182
SMILES: CCCC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-]
Structure:
CAS RN: 120583-09-7
CAS Name: 4-[2-methyl-2-(methylamino)propyl]phenol
OPENEYE Name: 4-[2-methyl-2-(methylamino)propyl]phenol
IUPAC Name: 4-[2-methyl-2-(methylamino)propyl]phenol
SYSTEMATIC NAME: 4-[2-methyl-2-(methylamino)propyl]phenol
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC(C)(CC1=CC=C(C=C1)O)NC
Structure:
CAS RN: 106287-81-4
CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-methylphenyl)-1-benzopyran-4-one hydrochloride
OPENEYE Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-2-(p-tolyl)chromen-4-one hydrochloride
IUPAC Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-(4-methylphenyl)chromen-4-one hydrochloride
SYSTEMATIC NAME: 2-(4-methylphenyl)-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]chromen-4-one hydrochloride
MOLECULAR FORMULA: C22H26ClNO4
MOLECULAR WEIGHT: 403.89914
SMILES: CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(CNC(C)C)O.Cl
Structure:
CAS RN: 106268-90-0
CAS Name: [(2R)-3-(1-oxodocosoxy)-2-(1-oxododecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-docosanoyloxy-2-dodecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-docosanoyloxy-2-dodecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-docosanoyloxy-2-dodecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H84NO8P
MOLECULAR WEIGHT: 762.092021
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
Structure:
CAS RN: 106224-67-3
CAS Name: 6-[[2-(dimethylamino)ethylamino]-oxomethyl]-10-methoxy-5-oxo-7H-benzo[a]phenazine-9-carboxylic acid methyl ester
OPENEYE Name: methyl 6-[2-(dimethylamino)ethylcarbamoyl]-10-methoxy-5-oxo-7H-benzo[a]phenazine-9-carboxylate
IUPAC Name: methyl 6-[2-(dimethylamino)ethylcarbamoyl]-10-methoxy-5-oxo-7H-benzo[a]phenazine-9-carboxylate
SYSTEMATIC NAME: methyl 6-[2-(dimethylamino)ethylcarbamoyl]-10-methoxy-5-oxidanylidene-7H-benzo[a]phenazine-9-carboxylate
MOLECULAR FORMULA: C24H24N4O5
MOLECULAR WEIGHT: 448.47116
SMILES: CN(C)CCNC(=O)C1=C2C(=NC3=C(N2)C=C(C(=C3)OC)C(=O)OC)C4=CC=CC=C4C1=O
Structure:
CAS RN: 106221-35-6
CAS Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-(1-pyrrolyl)-3-quinolinecarboxylic acid
OPENEYE Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-pyrrol-1-yl-quinoline-3-carboxylic acid
IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 6-fluoranyl-1-(2-fluoranylethyl)-4-oxidanylidene-7-pyrrol-1-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C16H12F2N2O3
MOLECULAR WEIGHT: 318.274886
SMILES: C1=CN(C=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCF)F
Structure:
CAS RN: 106220-84-2
CAS Name: 1,2,3,5-tetrachloro-4-(2,4,6-trichlorophenoxy)benzene
OPENEYE Name: 1,2,3,5-tetrachloro-4-(2,4,6-trichlorophenoxy)benzene
IUPAC Name: 1,2,3,5-tetrachloro-4-(2,4,6-trichlorophenoxy)benzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(chloranyl)-4-[2,4,6-tris(chloranyl)phenoxy]benzene
MOLECULAR FORMULA: C12H3Cl7O
MOLECULAR WEIGHT: 411.32262
SMILES: C1=C(C=C(C(=C1Cl)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 106206-96-6
CAS Name: carbonic acid ethyl (5-fluoro-2,4-dioxo-1-pyrimidinyl)methyl ester
OPENEYE Name: ethyl (5-fluoro-2,4-dioxo-pyrimidin-1-yl)methyl carbonate
IUPAC Name: ethyl (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl carbonate
SYSTEMATIC NAME: ethyl [5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl carbonate
MOLECULAR FORMULA: C8H9FN2O5
MOLECULAR WEIGHT: 232.165863
SMILES: CCOC(=O)OCN1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 106175-03-5
CAS Name: 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-3-pentanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pentan-3-ol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4,4-dimethylpentan-3-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pentan-3-ol
MOLECULAR FORMULA: C14H20O3
MOLECULAR WEIGHT: 236.3068
SMILES: CC(C)(C)C(CCC1=CC2=C(C=C1)OCO2)O
Structure:
CAS RN: 106145-38-4
CAS Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenyl-propyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]-3-phenyl-propyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C17H22N2O8
MOLECULAR WEIGHT: 382.36518
SMILES: C1=CC=C(C=C1)CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 106145-23-7
CAS Name: 3,9-dimethyl-6-methylimino-7H-purin-8-one
OPENEYE Name: 3,9-dimethyl-6-methylimino-7H-purin-8-one
IUPAC Name: 3,9-dimethyl-6-methylimino-7H-purin-8-one
SYSTEMATIC NAME: 3,9-dimethyl-6-methylimino-7H-purin-8-one
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: CN=C1C2=C(N(C=N1)C)N(C(=O)N2)C
Structure:
CAS RN: 106133-20-4
CAS Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
OPENEYE Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide
IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
SYSTEMATIC NAME: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C20H28N2O5S
MOLECULAR WEIGHT: 408.51172
SMILES: CCOC1=CC=CC=C1OCCN[C@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N
Structure:
CAS RN: 106134-33-2
CAS Name: 2-amino-N-(2,6-dimethylphenyl)-N-[3-(3-pyridinyl)propyl]propanamide dihydrochloride
OPENEYE Name: 2-amino-N-(2,6-dimethylphenyl)-N-[3-(3-pyridyl)propyl]propanamide dihydrochloride
IUPAC Name: 2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide dihydrochloride
SYSTEMATIC NAME: 2-azanyl-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide dihydrochloride
MOLECULAR FORMULA: C19H27Cl2N3O
MOLECULAR WEIGHT: 384.34318
SMILES: CC1=C(C(=CC=C1)C)N(CCCC2=CN=CC=C2)C(=O)C(C)N.Cl.Cl
Structure:
CAS RN: 106133-21-5
CAS Name: 1,2-dihydroxy-4-pyridinone
OPENEYE Name: 1,2-dihydroxypyridin-4-one
IUPAC Name: 1,2-dihydroxypyridin-4-one
SYSTEMATIC NAME: 1,2-bis(oxidanyl)pyridin-4-one
MOLECULAR FORMULA: C5H5NO3
MOLECULAR WEIGHT: 127.0981
SMILES: C1=CN(C(=CC1=O)O)O
Structure:
CAS RN: 106132-93-8
CAS Name: 4-methyl-2-[2-(propan-2-ylamino)ethyl]-2-(2-pyridinyl)pentanamide
OPENEYE Name: 2-[2-(isopropylamino)ethyl]-4-methyl-2-(2-pyridyl)pentanamide
IUPAC Name: 4-methyl-2-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylpentanamide
SYSTEMATIC NAME: 4-methyl-2-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-yl-pentanamide
MOLECULAR FORMULA: C16H27N3O
MOLECULAR WEIGHT: 277.40508
SMILES: CC(C)CC(CCNC(C)C)(C1=CC=CC=N1)C(=O)N
Structure:
CAS RN: 106131-93-5
CAS Name: 1,3-dimethyl-8-[(2,2,2-trichloro-1-hydroxyethyl)hydrazo]-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-[2-(2,2,2-trichloro-1-hydroxy-ethyl)hydrazino]-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-[2-(2,2,2-trichloro-1-hydroxyethyl)hydrazinyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-[2-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]hydrazinyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C9H11Cl3N6O3
MOLECULAR WEIGHT: 357.58104
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NNC(C(Cl)(Cl)Cl)O
Structure:
CAS RN: 106131-92-4
CAS Name: (2S)-6-amino-2-[[2-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[2-[(4-hydroxyphenyl)carbonylamino]ethanoylamino]hexanoic acid
MOLECULAR FORMULA: C15H21N3O5
MOLECULAR WEIGHT: 323.34434
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)O
Structure:
CAS RN: 106131-91-3
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[2-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-guanidino-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]pentanoic acid
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[2-[(4-hydroxyphenyl)carbonylamino]ethanoylamino]pentanoic acid
MOLECULAR FORMULA: C15H21N5O5
MOLECULAR WEIGHT: 351.35774
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)O
Structure:
CAS RN: 106120-01-8
CAS Name: 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
OPENEYE Name: 1-(hydroxymethyl)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
IUPAC Name: 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
SYSTEMATIC NAME: 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)CO)C)O)C=C
Structure:
CAS RN: 120578-22-5
CAS Name: dodecanoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] ester
OPENEYE Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxy-propyl] dodecanoate
IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
SYSTEMATIC NAME: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-oxidanyl-propyl] dodecanoate
MOLECULAR FORMULA: C17H36NO7P
MOLECULAR WEIGHT: 397.444001
SMILES: CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
Structure:
CAS RN: 106114-44-7
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(3-fluoropropyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-2-(3-fluoropropyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-2-(3-fluoropropyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 2-(3-fluoranylpropyl)-8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C26H31F2N3O2
MOLECULAR WEIGHT: 455.540046
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCCF)CCCC(=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 106114-42-5
CAS Name: 2-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 2-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 2-(2-fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 2-(2-fluoranylethyl)-8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C25H29F2N3O2
MOLECULAR WEIGHT: 441.513466
SMILES: C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCF)CCCC(=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 106114-40-3
CAS Name: trifluoromethanesulfonic acid 3-iodopropyl ester
OPENEYE Name: 3-iodopropyl trifluoromethanesulfonate
IUPAC Name: 3-iodopropyl trifluoromethanesulfonate
SYSTEMATIC NAME: 3-iodanylpropyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C4H6F3IO3S
MOLECULAR WEIGHT: 318.05332
SMILES: C(COS(=O)(=O)C(F)(F)F)CI
Structure:
CAS RN: 106114-32-3
CAS Name: 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid amino ester
OPENEYE Name: amino 5-[bis(2-chloroethyl)amino]tetralin-2-carboxylate
IUPAC Name: amino 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SYSTEMATIC NAME: azanyl 5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
MOLECULAR FORMULA: C15H20Cl2N2O2
MOLECULAR WEIGHT: 331.2375
SMILES: C1CC2=C(CC1C(=O)ON)C=CC=C2N(CCCl)CCCl
Structure:
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