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

Systemtic Name: 2-methylpropyl (4S,7S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,7S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(4-acetyloxyphenyl)-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-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(4-acetoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO5/c1-17(2)16-34-29(33)26-18(3)30-24-14-22(20-8-6-5-7-9-20)15-25(32)28(24)27(26)21-10-12-23(13-11-21)35-19(4)31/h5-13,17,22,26-27H,14-16H2,1-4H3/t22-,26?,27+/m0/s1