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

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-[3,4-bis(fluoranyl)phenyl]cyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-(3,4-difluorophenyl)cyclohexanecarboxylate CAS Name: 4-(3,4-difluorophenyl)-1-cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] 4-(3,4-difluorophenyl)cyclohexane-1-carboxylate Traditional Name: 4-(3,4-difluorophenyl)cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C26H30F3NO2 MolecularWeight: 445.51711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=C(C#N)F)OC(=O)C2CCC(CC2)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C(\C#N)/F)OC(=O)C2CCC(CC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C26H30F3NO2/c27-22(17-30)5-3-1-2-4-18-6-13-23(14-7-18)32-26(31)20-10-8-19(9-11-20)21-12-15-24(28)25(29)16-21/h1,3,5,12,15-16,18-20,23H,2,4,6-11,13-14H2/b3-1+,22-5+