(2-cyano-4-heptyl-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C28H35NO2/c1-3-4-5-6-8-11-23-14-17-26(24(20-23)21-29)31-27(30)28(18-9-7-10-19-28)25-15-12-22(2)13-16-25/h12-17,20H,3-11,18-19H2,1-2H3