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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-hexylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-hexylcyclohexyl)benzoate CAS Name: 4-(4-hexylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-hexylcyclohexyl)benzoate Traditional Name: 4-(4-hexylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C31H41NO2 MolecularWeight: 459.66274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-6-7-8-9-24-10-13-26(14-11-24)27-15-17-28(18-16-27)31(33)34-30-19-12-25(20-23(3)5-2)21-29(30)22-32/h12,15-19,21,23-24,26H,4-11,13-14,20H2,1-3H3