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

Systemtic Name: (4-pentylphenyl) 4-cyano-4-propyl-cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-cyano-4-propyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-propyl-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-cyano-4-propylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-propyl-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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