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

Systemtic Name: (4-heptylphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)(CCCCC)C#N

InChI

InChI=1S/C26H39NO2/c1-3-5-7-8-9-11-22-12-14-24(15-13-22)29-25(28)23-16-19-26(21-27,20-17-23)18-10-6-4-2/h12-15,23H,3-11,16-20H2,1-2H3