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

Systemtic Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-butylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylbutyl)phenyl] 1-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-butylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylbutyl)phenyl] ester Formula: C29H37NO2 MolecularWeight: 431.60958

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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)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-6-10-23-11-14-26(15-12-23)29(17-8-7-9-18-29)28(31)32-27-16-13-24(19-22(3)5-2)20-25(27)21-30/h11-16,20,22H,4-10,17-19H2,1-3H3