[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-octylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-octylcyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-octylcyclohexyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C28H39F2NO2 MolecularWeight: 459.611566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H39F2NO2/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-15-23(16-14-22)28(32)33-25-18-17-24(19-31)26(29)27(25)30/h17-18,20-23H,2-16H2,1H3