(4-cyano-4-methyl-cyclohexa-2,5-dien-1-yl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate

Systemtic Name: (4-cyano-4-methyl-cyclohexa-2,5-dien-1-yl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-cyano-4-methyl-cyclohexa-2,5-dien-1-yl) 4-(4-isopentylcyclohexyl)benzoate CAS Name: 4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (4-cyano-4-methyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-cyano-4-methylcyclohexa-2,5-dien-1-yl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-(4-isoamylcyclohexyl)benzoic acid (4-cyano-4-methyl-cyclohexa-2,5-dien-1-yl) ester Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3C=CC(C=C3)(C)C#N

Isomeric SMILES

CC(C)CCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3C=CC(C=C3)(C)C#N

InChI

InChI=1S/C26H33NO2/c1-19(2)4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)25(28)29-24-14-16-26(3,18-27)17-15-24/h10-17,19-21,24H,4-9H2,1-3H3