[4-cyano-3,5-bis(fluoranyl)phenyl] 4-ethoxy-2-fluoranyl-cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-ethoxy-2-fluoranyl-cyclohexane-1-carboxylate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-ethoxy-2-fluoro-cyclohexanecarboxylate CAS Name: 4-ethoxy-2-fluoro-1-cyclohexanecarboxylic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-ethoxy-2-fluorocyclohexane-1-carboxylate Traditional Name: 4-ethoxy-2-fluoro-cyclohexanecarboxylic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C16H16F3NO3 MolecularWeight: 327.29835

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(C(C1)F)C(=O)OC2=CC(=C(C(=C2)F)C#N)F

Isomeric SMILES

CCOC1CCC(C(C1)F)C(=O)OC2=CC(=C(C(=C2)F)C#N)F

InChI

InChI=1S/C16H16F3NO3/c1-2-22-9-3-4-11(13(17)5-9)16(21)23-10-6-14(18)12(8-20)15(19)7-10/h6-7,9,11,13H,2-5H2,1H3