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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-butyl-2-fluoranyl-benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-butyl-2-fluoro-benzoate CAS Name: 4-butyl-2-fluorobenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-butyl-2-fluorobenzoate Traditional Name: 4-butyl-2-fluoro-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C18H15F2NO2 MolecularWeight: 315.314006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F)F

InChI

InChI=1S/C18H15F2NO2/c1-2-3-4-12-5-8-15(17(20)9-12)18(22)23-14-7-6-13(11-21)16(19)10-14/h5-10H,2-4H2,1H3