(4-cyano-4-heptyl-cyclohexyl) 4-pentylbenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-pentylbenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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