propyl (4S,4aS,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,4aS,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aS,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aS,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-5-keto-4-(3-methoxyphenyl)-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2C(=O)CC(C=C2N=C1C)C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCOC(=O)C1[C@H]([C@@H]2C(=O)C[C@@H](C=C2N=C1C)C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H29NO4/c1-4-13-32-27(30)24-17(2)28-22-15-20(18-9-6-5-7-10-18)16-23(29)26(22)25(24)19-11-8-12-21(14-19)31-3/h5-12,14-15,20,24-26H,4,13,16H2,1-3H3/t20-,24?,25-,26+/m1/s1