[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C19H19F4NO3 MolecularWeight: 385.352673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=C(C#N)F)OC(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1CC(CCC1CC/C=C(\C#N)/F)OC(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H19F4NO3/c20-15(12-24)3-1-2-13-4-8-16(9-5-13)26-18(25)14-6-10-17(11-7-14)27-19(21,22)23/h3,6-7,10-11,13,16H,1-2,4-5,8-9H2/b15-3+