(4-cyano-3-fluoranyl-phenyl) 2,6-bis(fluoranyl)-4-pentyl-benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 2,6-bis(fluoranyl)-4-pentyl-benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 2,6-difluoro-4-pentyl-benzoate CAS Name: 2,6-difluoro-4-pentylbenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 2,6-difluoro-4-pentylbenzoate Traditional Name: 4-amyl-2,6-difluoro-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C19H16F3NO2 MolecularWeight: 347.33105

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C=C2)C#N)F)F

InChI

InChI=1S/C19H16F3NO2/c1-2-3-4-5-12-8-16(21)18(17(22)9-12)19(24)25-14-7-6-13(11-23)15(20)10-14/h6-10H,2-5H2,1H3