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

Systemtic Name: (4-propylphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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