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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-propyl-benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 2-fluoro-4-propyl-benzoate CAS Name: 2-fluoro-4-propylbenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 2-fluoro-4-propylbenzoate Traditional Name: 2-fluoro-4-propyl-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C17H13F2NO2 MolecularWeight: 301.287426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F)F

InChI

InChI=1S/C17H13F2NO2/c1-2-3-11-4-7-14(16(19)8-11)17(21)22-13-6-5-12(10-20)15(18)9-13/h4-9H,2-3H2,1H3