(4-ethylcyclohexyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-ethylcyclohexyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylcyclohexyl) 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylic acid (4-ethylcyclohexyl) ester Formula: C22H32FNO2 MolecularWeight: 361.493383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC(=O)C2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCC1CCC(CC1)OC(=O)C2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C22H32FNO2/c1-2-17-10-14-21(15-11-17)26-22(25)19-12-8-18(9-13-19)6-4-3-5-7-20(23)16-24/h3,5,7,17-19,21H,2,4,6,8-15H2,1H3/b5-3+,20-7+