[2-cyano-4-(2-methylpropyl)phenyl] 4-(4-heptylcyclohexyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)C)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)C)C#N

InChI

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