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

Systemtic Name: (4-pentylphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)CCCCC)C#N

InChI

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