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

Systemtic Name: cyclohexyl (4R,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-7-phenyl-4-p-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C31H35NO4 MolecularWeight: 485.6139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC4CCCCC4)C)CC(CC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC4CCCCC4)C)C[C@H](CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C31H35NO4/c1-3-35-24-16-14-22(15-17-24)29-28(31(34)36-25-12-8-5-9-13-25)20(2)32-26-18-23(19-27(33)30(26)29)21-10-6-4-7-11-21/h4,6-7,10-11,14-17,23,25,29-30H,3,5,8-9,12-13,18-19H2,1-2H3/t23-,29-,30?/m1/s1