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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-heptylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-heptylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C32H43NO2/c1-4-6-7-8-10-13-26-14-17-29(18-15-26)32(20-11-9-12-21-32)31(34)35-30-19-16-27(22-25(3)5-2)23-28(30)24-33/h14-19,23,25H,4-13,20-22H2,1-3H3