[4-cyano-3,5-bis(fluoranyl)phenyl] 2-fluoranyl-4-(4-methylcyclohexyl)benzoate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 2-fluoranyl-4-(4-methylcyclohexyl)benzoate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate CAS Name: 2-fluoro-4-(4-methylcyclohexyl)benzoic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate Traditional Name: 2-fluoro-4-(4-methylcyclohexyl)benzoic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C21H18F3NO2 MolecularWeight: 373.36833

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F)F

Isomeric SMILES

CC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F)F

InChI

InChI=1S/C21H18F3NO2/c1-12-2-4-13(5-3-12)14-6-7-16(18(22)8-14)21(26)27-15-9-19(23)17(11-25)20(24)10-15/h6-10,12-13H,2-5H2,1H3