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

Systemtic Name: ethyl 2,6-bis(2-chlorophenyl)-1-cyano-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl 3-benzoyl-2,6-bis(2-chlorophenyl)-1-cyano-4-hydroxy-4-phenyl-cyclohexanecarboxylate CAS Name: 3-benzoyl-2,6-bis(2-chlorophenyl)-1-cyano-4-hydroxy-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-2,6-bis(2-chlorophenyl)-1-cyano-4-hydroxy-4-phenylcyclohexane-1-carboxylate Traditional Name: 3-benzoyl-2,6-bis(2-chlorophenyl)-1-cyano-4-hydroxy-4-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C35H29Cl2NO4 MolecularWeight: 598.51506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=CC=C5Cl)C#N

Isomeric SMILES

CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC=CC=C5Cl)C#N

InChI

InChI=1S/C35H29Cl2NO4/c1-2-42-33(40)34(22-38)27(25-17-9-11-19-28(25)36)21-35(41,24-15-7-4-8-16-24)31(32(39)23-13-5-3-6-14-23)30(34)26-18-10-12-20-29(26)37/h3-20,27,30-31,41H,2,21H2,1H3