2-methylpropyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(2,4-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)C[C@H](C2)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO5/c1-17(2)16-35-29(32)26-18(3)30-23-13-20(19-9-7-6-8-10-19)14-24(31)28(23)27(26)22-12-11-21(33-4)15-25(22)34-5/h6-12,15,17,20,26-27H,13-14,16H2,1-5H3/t20-,26?,27+/m0/s1