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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-6-7-9-12-25-13-16-28(17-14-25)31(19-10-8-11-20-31)30(33)34-29-18-15-26(21-24(3)5-2)22-27(29)23-32/h13-18,22,24H,4-12,19-21H2,1-3H3