(4-pentylphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCC)C#N

InChI

InChI=1S/C23H33NO2/c1-3-5-7-8-19-9-11-21(12-10-19)26-22(25)20-13-16-23(18-24,17-14-20)15-6-4-2/h9-12,20H,3-8,13-17H2,1-2H3