(4-methylphenyl) 2-cyano-4-(4-hexan-2-ylcyclohexyl)benzoate

Systemtic Name: (4-methylphenyl) 2-cyano-4-(4-hexan-2-ylcyclohexyl)benzoate Openeye Name: p-tolyl 2-cyano-4-[4-(1-methylpentyl)cyclohexyl]benzoate CAS Name: 2-cyano-4-(4-hexan-2-ylcyclohexyl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-cyano-4-(4-hexan-2-ylcyclohexyl)benzoate Traditional Name: 2-cyano-4-[4-(1-methylpentyl)cyclohexyl]benzoic acid p-tolyl ester Formula: C27H33NO2 MolecularWeight: 403.55642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCC(C)C1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C27H33NO2/c1-4-5-6-20(3)21-9-11-22(12-10-21)23-13-16-26(24(17-23)18-28)27(29)30-25-14-7-19(2)8-15-25/h7-8,13-17,20-22H,4-6,9-12H2,1-3H3