(4-hexylcyclohexyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: (4-hexylcyclohexyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-hexylcyclohexyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester IUPAC Name: (4-hexylcyclohexyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester Formula: C24H41NO2 MolecularWeight: 375.58784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCC)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCC)C#N

InChI

InChI=1S/C24H41NO2/c1-3-5-7-8-9-20-10-12-22(13-11-20)27-23(26)21-14-17-24(19-25,18-15-21)16-6-4-2/h20-22H,3-18H2,1-2H3