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

Systemtic Name: (4-butylphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCC)C#N

InChI

InChI=1S/C22H31NO2/c1-3-5-7-18-8-10-20(11-9-18)25-21(24)19-12-15-22(17-23,16-13-19)14-6-4-2/h8-11,19H,3-7,12-16H2,1-2H3