(2-cyano-4-octan-2-yl-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-5-6-8-11-23(3)24-14-17-27(25(20-24)21-30)32-28(31)29(18-9-7-10-19-29)26-15-12-22(2)13-16-26/h12-17,20,23H,4-11,18-19H2,1-3H3