[2-cyano-4-(2-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic 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=CC=C(C=C2)C3CCC(CC3)C)C#N

Isomeric SMILES

CCC(C)CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-4-18(2)15-20-7-14-25(24(16-20)17-27)29-26(28)23-12-10-22(11-13-23)21-8-5-19(3)6-9-21/h7,10-14,16,18-19,21H,4-6,8-9,15H2,1-3H3