[2-cyano-4-(2-methylpropyl)phenyl] 4-(4-methylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(2-methylpropyl)phenyl] 4-(4-methylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isobutyl-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid [2-cyano-4-(2-methylpropyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylpropyl)phenyl] 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-isobutyl-phenyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)C)C#N

Isomeric SMILES

CC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CC(C)C)C#N

InChI

InChI=1S/C25H29NO2/c1-17(2)14-19-6-13-24(23(15-19)16-26)28-25(27)22-11-9-21(10-12-22)20-7-4-18(3)5-8-20/h6,9-13,15,17-18,20H,4-5,7-8,14H2,1-3H3