(2-cyano-4-hexan-2-yl-phenyl) 4-(4-methylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-hexan-2-yl-phenyl) 4-(4-methylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylpentyl)phenyl] 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-hexan-2-ylphenyl) 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C)C#N

Isomeric SMILES

CCCCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)C)C#N

InChI

InChI=1S/C27H33NO2/c1-4-5-6-20(3)24-15-16-26(25(17-24)18-28)30-27(29)23-13-11-22(12-14-23)21-9-7-19(2)8-10-21/h11-17,19-21H,4-10H2,1-3H3