[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C25H17BrFNO4 MolecularWeight: 494.309183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H17BrFNO4/c1-31-19-4-2-3-16(11-19)24(29)14-32-25(30)21-13-23(15-5-8-18(27)9-6-15)28-22-10-7-17(26)12-20(21)22/h2-13H,14H2,1H3