[2-cyano-4-(2-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C26H31NO2 MolecularWeight: 389.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-4-19(2)16-21-10-13-24(22(17-21)18-27)29-25(28)26(14-6-5-7-15-26)23-11-8-20(3)9-12-23/h8-13,17,19H,4-7,14-16H2,1-3H3