ethyl 1-cyano-2,6-bis(4-methylphenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-cyano-2,6-bis(4-methylphenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl 3-benzoyl-1-cyano-4-hydroxy-4-phenyl-2,6-bis(p-tolyl)cyclohexanecarboxylate CAS Name: 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(4-methylphenyl)-4-phenylcyclohexane-1-carboxylate Traditional Name: 3-benzoyl-1-cyano-4-hydroxy-4-phenyl-2,6-bis(p-tolyl)cyclohexanecarboxylic acid ethyl ester Formula: C37H35NO4 MolecularWeight: 557.6781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C)C#N

Isomeric SMILES

CCOC(=O)C1(C(CC(C(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C)C#N

InChI

InChI=1S/C37H35NO4/c1-4-42-35(40)36(24-38)31(27-19-15-25(2)16-20-27)23-37(41,30-13-9-6-10-14-30)33(34(39)29-11-7-5-8-12-29)32(36)28-21-17-26(3)18-22-28/h5-22,31-33,41H,4,23H2,1-3H3