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

Systemtic Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C28H35NO2/c1-4-5-9-22(3)18-23-12-15-26(24(19-23)20-29)31-27(30)28(16-7-6-8-17-28)25-13-10-21(2)11-14-25/h10-15,19,22H,4-9,16-18H2,1-3H3