(2-butoxy-2-oxidanylidene-ethyl) 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO4/c1-2-3-12-27-21(25)14-28-22(26)18-13-20(15-8-10-16(23)11-9-15)24-19-7-5-4-6-17(18)19/h4-11,13H,2-3,12,14H2,1H3