[2-cyano-4-(3-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isopentyl-phenyl) 4-(4-methylcyclohexyl)benzoate CAS Name: 4-(4-methylcyclohexyl)benzoic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-methylcyclohexyl)benzoate Traditional Name: 4-(4-methylcyclohexyl)benzoic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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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)CCC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2/c1-18(2)4-7-20-8-15-25(24(16-20)17-27)29-26(28)23-13-11-22(12-14-23)21-9-5-19(3)6-10-21/h8,11-16,18-19,21H,4-7,9-10H2,1-3H3