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

Systemtic Name: (4-pentylphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C24H35NO2 MolecularWeight: 369.5402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO2/c1-3-5-7-9-20-10-12-22(13-11-20)27-23(26)21-14-17-24(19-25,18-15-21)16-8-6-4-2/h10-13,21H,3-9,14-18H2,1-2H3