cyclohexyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl 4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)OC5CCCCC5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)OC5CCCCC5

InChI

InChI=1S/C31H33NO5/c1-19-28(31(35)37-24-11-7-4-8-12-24)29(22-13-15-25(16-14-22)36-20(2)33)30-26(32-19)17-23(18-27(30)34)21-9-5-3-6-10-21/h3,5-6,9-10,13-17,23-24,29-30,32H,4,7-8,11-12,18H2,1-2H3