(4-pentylcyclohexyl) 4-cyano-4-hexyl-cyclohexane-1-carboxylate

Systemtic Name: (4-pentylcyclohexyl) 4-cyano-4-hexyl-cyclohexane-1-carboxylate Openeye Name: (4-pentylcyclohexyl) 4-cyano-4-hexyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-hexyl-1-cyclohexanecarboxylic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-cyano-4-hexylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-hexyl-cyclohexanecarboxylic acid (4-amylcyclohexyl) ester Formula: C25H43NO2 MolecularWeight: 389.61442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C(=O)OC2CCC(CC2)CCCCC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C(=O)OC2CCC(CC2)CCCCC)C#N

InChI

InChI=1S/C25H43NO2/c1-3-5-7-9-17-25(20-26)18-15-22(16-19-25)24(27)28-23-13-11-21(12-14-23)10-8-6-4-2/h21-23H,3-19H2,1-2H3