Saturday, April 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (4R,7R)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R,7R)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H28ClNO6
MOLECULAR WEIGHT: 497.96732
SMILES: CCOC1=C(C(=CC(=C1)[C@@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C)Cl)O
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Product OPENEYE NAME: methyl (4S,7S)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S,7S)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H28ClNO6
MOLECULAR WEIGHT: 497.96732
SMILES: CCOC1=C(C(=CC(=C1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C)Cl)O
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Product OPENEYE NAME: methyl (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R,7S)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H28ClNO6
MOLECULAR WEIGHT: 497.96732
SMILES: CCOC1=C(C(=CC(=C1)[C@@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C)Cl)O
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Product OPENEYE NAME: cyclopentyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester
IUPAC NAME: cyclopentyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: cyclopentyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: CCOC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OC3CCCC3)OC
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Product OPENEYE NAME: cyclopentyl (4R)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclopentyl ester
IUPAC NAME: cyclopentyl (4R)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: cyclopentyl (4R)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: CCOC1=C(C=C(C=C1)[C@@H]2C(=C(NC(=O)N2)C)C(=O)OC3CCCC3)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CC1=C([C@]23C(=C(O[C@@]2(O1)C4=CC=CC=C4C3=O)N)C#N)C(=O)OCC(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16N2O5
MOLECULAR WEIGHT: 352.34074
SMILES: CC1=C([C@]23C(=C(O[C@@]2(O1)C4=CC=CC=C4C3=O)N)C#N)C(=O)OC(C)C
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Product OPENEYE NAME: dimethyl 4-(2,4-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CAS Name: 4-(2,4-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4-(2,4-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(2,4-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H25NO6
MOLECULAR WEIGHT: 375.4156
SMILES: CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=C(C=C(C=C2)OC)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl 1,2,6-trimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate
CAS Name: 1,2,6-trimethyl-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 1,2,6-trimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,2,6-trimethyl-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H23NO4S
MOLECULAR WEIGHT: 361.45522
SMILES: CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=C(C=C2)SC)C(=O)OC
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Product OPENEYE NAME: [2-ethoxy-4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CAS Name: acetic acid [2-ethoxy-4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [2-ethoxy-4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
SYSTEMATIC NAME: [2-ethoxy-4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxidanylidene-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate
MOLECULAR FORMULA: C30H30N2O5
MOLECULAR WEIGHT: 498.5696
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)OC(=O)C
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Product OPENEYE NAME: [2-ethoxy-4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CAS Name: acetic acid [2-ethoxy-4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [2-ethoxy-4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
SYSTEMATIC NAME: [2-ethoxy-4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxidanylidene-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate
MOLECULAR FORMULA: C30H30N2O5
MOLECULAR WEIGHT: 498.5696
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)OC(=O)C
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Product OPENEYE NAME: [2-ethoxy-4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CAS Name: acetic acid [2-ethoxy-4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [2-ethoxy-4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
SYSTEMATIC NAME: [2-ethoxy-4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxidanylidene-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate
MOLECULAR FORMULA: C30H30N2O5
MOLECULAR WEIGHT: 498.5696
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)OC(=O)C
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Product OPENEYE NAME: [2-ethoxy-4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
CAS Name: acetic acid [2-ethoxy-4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [2-ethoxy-4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] acetate
SYSTEMATIC NAME: [2-ethoxy-4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxidanylidene-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-6-yl]phenyl] ethanoate
MOLECULAR FORMULA: C30H30N2O5
MOLECULAR WEIGHT: 498.5696
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2C3=C(C[C@@H](CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)OC(=O)C
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Product OPENEYE NAME: dimethyl 4-(2,5-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CAS Name: 4-(2,5-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4-(2,5-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(2,5-dimethoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H25NO6
MOLECULAR WEIGHT: 375.4156
SMILES: CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=C(C=CC(=C2)OC)OC)C(=O)OC
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Product OPENEYE NAME: [(1R)-1-methylpropyl] (4S,7R)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7R)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid [(2R)-butan-2-yl] ester
IUPAC NAME: [(2R)-butan-2-yl] (4S,7R)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: [(2R)-butan-2-yl] (4S,7R)-4-(4-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H29NO4
MOLECULAR WEIGHT: 431.52346
SMILES: CC[C@@H](C)OC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)O)C(=O)C[C@@H](C2)C4=CC=CC=C4)C
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Product OPENEYE NAME: isobutyl (4S,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl (4S,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: 2-methylpropyl (4S,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: CC1=C([C@H](C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC)C(=O)OCC(C)C
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Product OPENEYE NAME: isobutyl (4R,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl (4R,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: 2-methylpropyl (4R,7R)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC)C(=O)OCC(C)C
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Product OPENEYE NAME: isobutyl (4S,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl (4S,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: 2-methylpropyl (4S,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC)C(=O)OCC(C)C
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Product OPENEYE NAME: isobutyl (4R,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl (4R,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: 2-methylpropyl (4R,7S)-4-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C29H33NO5
MOLECULAR WEIGHT: 475.57602
SMILES: CC1=C([C@@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC)C(=O)OCC(C)C
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Product OPENEYE NAME: methyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H24N2O4
MOLECULAR WEIGHT: 404.45836
SMILES: CC1=C([C@H](C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OC
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Product OPENEYE NAME: methyl (4R,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H24N2O4
MOLECULAR WEIGHT: 404.45836
SMILES: CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OC
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Product OPENEYE NAME: methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S,7S)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S,7S)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H24N2O4
MOLECULAR WEIGHT: 404.45836
SMILES: CC1=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OC
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