(4-cyano-3-fluoranyl-phenyl) 4-(4-ethyl-2-fluoranyl-phenyl)-2-fluoranyl-benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(4-ethyl-2-fluoranyl-phenyl)-2-fluoranyl-benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(4-ethyl-2-fluoro-phenyl)-2-fluoro-benzoate CAS Name: 4-(4-ethyl-2-fluorophenyl)-2-fluorobenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(4-ethyl-2-fluorophenyl)-2-fluorobenzoate Traditional Name: 4-(4-ethyl-2-fluoro-phenyl)-2-fluoro-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C22H14F3NO2 MolecularWeight: 381.34727

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F)F

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F)F

InChI

InChI=1S/C22H14F3NO2/c1-2-13-3-7-17(20(24)9-13)14-5-8-18(21(25)10-14)22(27)28-16-6-4-15(12-26)19(23)11-16/h3-11H,2H2,1H3