(4-cyano-4-pentyl-cyclohexyl) 4-butylbenzoate

Systemtic Name: (4-cyano-4-pentyl-cyclohexyl) 4-butylbenzoate Openeye Name: (4-cyano-4-pentyl-cyclohexyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-4-pentylcyclohexyl) ester IUPAC Name: (4-cyano-4-pentylcyclohexyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-amyl-4-cyano-cyclohexyl) ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)CCCC)C#N

InChI

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