[2-cyano-4-(3-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

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