ethyl 1-cyano-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)carbonyl-4-oxidanyl-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-cyano-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)carbonyl-4-oxidanyl-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-hydroxy-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)-oxomethyl]-2,6-diphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: 1-cyano-4-hydroxy-4-(4-methoxyphenyl)-3-p-anisoyl-2,6-diphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C37H35NO6 MolecularWeight: 589.6769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H35NO6/c1-4-44-35(40)36(24-38)31(25-11-7-5-8-12-25)23-37(41,28-17-21-30(43-3)22-18-28)33(32(36)26-13-9-6-10-14-26)34(39)27-15-19-29(42-2)20-16-27/h5-22,31-33,41H,4,23H2,1-3H3