(4-hexylphenyl) 1-cyano-4-ethyl-cyclohexane-1-carboxylate

Systemtic Name: (4-hexylphenyl) 1-cyano-4-ethyl-cyclohexane-1-carboxylate Openeye Name: (4-hexylphenyl) 1-cyano-4-ethyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-ethyl-1-cyclohexanecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 1-cyano-4-ethylcyclohexane-1-carboxylate Traditional Name: 1-cyano-4-ethyl-cyclohexanecarboxylic acid (4-hexylphenyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2(CCC(CC2)CC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2(CCC(CC2)CC)C#N

InChI

InChI=1S/C22H31NO2/c1-3-5-6-7-8-19-9-11-20(12-10-19)25-21(24)22(17-23)15-13-18(4-2)14-16-22/h9-12,18H,3-8,13-16H2,1-2H3