(4-butyl-4-cyano-cyclohexyl) 4-pentylbenzoate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-pentylbenzoate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCC)C#N

InChI

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