(4-cyano-4-pentyl-cyclohexyl) 4-pentylbenzoate

Systemtic Name: (4-cyano-4-pentyl-cyclohexyl) 4-pentylbenzoate Openeye Name: (4-cyano-4-pentyl-cyclohexyl) 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid (4-cyano-4-pentylcyclohexyl) ester IUPAC Name: (4-cyano-4-pentylcyclohexyl) 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid (4-amyl-4-cyano-cyclohexyl) ester Formula: C24H35NO2 MolecularWeight: 369.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)(CCCCC)C#N

InChI

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