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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-nonylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-nonylcyclohexyl)benzoate CAS Name: 4-(4-nonylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 4-(4-nonylcyclohexyl)benzoate Traditional Name: 4-(4-nonylcyclohexyl)benzoic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-6-7-8-9-10-11-12-27-13-16-29(17-14-27)30-18-20-31(21-19-30)34(36)37-33-22-15-28(23-26(3)5-2)24-32(33)25-35/h15,18-22,24,26-27,29H,4-14,16-17,23H2,1-3H3