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

Systemtic Name: propyl (4S,4aS,7S)-4-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aS,7S)-4-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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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(=C(C=C4)OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5/c1-5-14-35-29(32)26-18(3)30-22-15-21(19-10-8-7-9-11-19)16-23(31)28(22)27(26)20-12-13-24(34-6-2)25(17-20)33-4/h7-13,15,17,21,26-28H,5-6,14,16H2,1-4H3/t21-,26?,27-,28+/m1/s1