cyclohexyl (4R,7S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R,7S)-2-methyl-4-(4-methylphenyl)-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7S)-2-methyl-5-oxo-7-phenyl-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7S)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7S)-2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-2-methyl-7-phenyl-4-(p-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)C[C@@H](CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C30H33NO3/c1-19-13-15-22(16-14-19)28-27(30(33)34-24-11-7-4-8-12-24)20(2)31-25-17-23(18-26(32)29(25)28)21-9-5-3-6-10-21/h3,5-6,9-10,13-16,23-24,28-29H,4,7-8,11-12,17-18H2,1-2H3/t23-,28+,29?/m0/s1