(4-butylphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (4-butylphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C23H33NO2 MolecularWeight: 355.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCC)C#N

InChI

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