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

Systemtic Name: (4-methylphenyl) 2-cyano-4-(4-hexylcyclohexyl)benzoate Openeye Name: p-tolyl 2-cyano-4-(4-hexylcyclohexyl)benzoate CAS Name: 2-cyano-4-(4-hexylcyclohexyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-cyano-4-(4-hexylcyclohexyl)benzoate Traditional Name: 2-cyano-4-(4-hexylcyclohexyl)benzoic acid p-tolyl ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C27H33NO2/c1-3-4-5-6-7-21-10-12-22(13-11-21)23-14-17-26(24(18-23)19-28)27(29)30-25-15-8-20(2)9-16-25/h8-9,14-18,21-22H,3-7,10-13H2,1-2H3