[2-cyano-4-(2-methylhexyl)phenyl] 1-(4-butylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CCCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC(C)CCCC)C#N

InChI

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