[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3/c1-14(2)12-24-21(26)13-28-22(27)18-11-20(15-7-9-16(23)10-8-15)25-19-6-4-3-5-17(18)19/h3-11,14H,12-13H2,1-2H3,(H,24,26)