(1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-bromanyl-2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C25H17BrFNO3 MolecularWeight: 478.309783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H17BrFNO3/c1-15(24(29)17-5-3-2-4-6-17)31-25(30)21-14-23(16-7-10-19(27)11-8-16)28-22-12-9-18(26)13-20(21)22/h2-15H,1H3