(4-methylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate

Systemtic Name: (4-methylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate Openeye Name: p-tolyl 2-cyano-4-(4-pentylcyclohexyl)benzoate CAS Name: 2-cyano-4-(4-pentylcyclohexyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)-2-cyano-benzoic acid p-tolyl ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-3-4-5-6-20-9-11-21(12-10-20)22-13-16-25(23(17-22)18-27)26(28)29-24-14-7-19(2)8-15-24/h7-8,13-17,20-21H,3-6,9-12H2,1-2H3