CAS RN: 122-57-6
CAS Name: (E)-4-phenyl-3-buten-2-one
OPENEYE Name: (E)-4-phenylbut-3-en-2-one
IUPAC Name: (E)-4-phenylbut-3-en-2-one
SYSTEMATIC NAME: (E)-4-phenylbut-3-en-2-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 1896-62-4
CAS Name: (E)-4-phenyl-3-buten-2-one
OPENEYE Name: (E)-4-phenylbut-3-en-2-one
IUPAC Name: (E)-4-phenylbut-3-en-2-one
SYSTEMATIC NAME: (E)-4-phenylbut-3-en-2-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 103-36-6
CAS Name: (E)-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-phenylprop-2-enoate
IUPAC Name: ethyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 403649-38-7
CAS Name: (E)-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-phenylprop-2-enoate
IUPAC Name: ethyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 4192-77-2
CAS Name: (E)-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-phenylprop-2-enoate
IUPAC Name: ethyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 2542-09-8
CAS Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)ethanol
OPENEYE Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)ethanol
IUPAC Name: (1R)-1-cyclopropyl-1-(4-fluorophenyl)ethanol
SYSTEMATIC NAME: (1R)-1-cyclopropyl-1-(4-fluorophenyl)ethanol
MOLECULAR FORMULA: C11H13FO
MOLECULAR WEIGHT: 180.218723
SMILES: C[C@@](C1CC1)(C2=CC=C(C=C2)F)O
Structure:
CAS RN: 402-41-5
CAS Name: 2-(4-fluorophenyl)-2-propanol
OPENEYE Name: 2-(4-fluorophenyl)propan-2-ol
IUPAC Name: 2-(4-fluorophenyl)propan-2-ol
SYSTEMATIC NAME: 2-(4-fluorophenyl)propan-2-ol
MOLECULAR FORMULA: C9H11FO
MOLECULAR WEIGHT: 154.181443
SMILES: CC(C)(C1=CC=C(C=C1)F)O
Structure:
CAS RN: 17570-26-2
CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=CC(=C1)/C=C/C(=O)O
Structure:
CAS RN: 6099-04-3
CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC=CC(=C1)/C=C/C(=O)O
Structure:
CAS RN: 4747-72-2
CAS Name: isocyanatocyclopropane
OPENEYE Name: isocyanatocyclopropane
IUPAC Name: isocyanatocyclopropane
SYSTEMATIC NAME: isocyanatocyclopropane
MOLECULAR FORMULA: C4H5NO
MOLECULAR WEIGHT: 83.0886
SMILES: C1CC1N=C=O
Structure:
CAS RN: 80953-62-4
CAS Name: (2S)-5-oxo-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-benzyloxycarbonyl-5-oxo-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-5-oxidanylidene-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C13H13NO5
MOLECULAR WEIGHT: 263.24602
SMILES: C1CC(=O)N([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 56085-36-0
CAS Name: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
OPENEYE Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
IUPAC Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SYSTEMATIC NAME: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@@H](CCC(=O)OC)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
Structure:
CAS RN: 1249-75-8
CAS Name: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
OPENEYE Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
IUPAC Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SYSTEMATIC NAME: methyl (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C25H42O3
MOLECULAR WEIGHT: 390.59918
SMILES: C[C@@H](CCC(=O)OC)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 2276-93-9
CAS Name: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O3
MOLECULAR WEIGHT: 376.5726
SMILES: C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 1421-69-8
CAS Name: (2R)-4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
OPENEYE Name: (2R)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2R)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid
SYSTEMATIC NAME: (2R)-4-methyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]pentanoic acid
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CC(C)C[C@H](C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 3245-38-3
CAS Name: (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
OPENEYE Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
IUPAC Name: methyl (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SYSTEMATIC NAME: methyl (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C25H42O4
MOLECULAR WEIGHT: 406.59858
SMILES: C[C@@H](CCC(=O)OC)[C@@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
Structure:
CAS RN: 83-44-3
CAS Name: (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
Structure:
CAS RN: 1448-36-8
CAS Name: (4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
OPENEYE Name: methyl (4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
IUPAC Name: methyl (4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
SYSTEMATIC NAME: methyl (4S)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17S)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C25H42O5
MOLECULAR WEIGHT: 422.59798
SMILES: C[C@@H](CCC(=O)OC)[C@@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C
Structure:
CAS RN: 906-83-2
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C23H36O3
MOLECULAR WEIGHT: 360.53014
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
Structure:
CAS RN: 128-21-2
CAS Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C21H34O2
MOLECULAR WEIGHT: 318.49346
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 360-68-9
CAS Name: (3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,5S,8R,9S,10S,13R,14S,17S)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H48O
MOLECULAR WEIGHT: 388.66942
SMILES: C[C@@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
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