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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C25H17BrClNO4 MolecularWeight: 510.76378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H17BrClNO4/c1-31-19-9-4-15(5-10-19)23-13-21(20-12-17(26)6-11-22(20)28-23)25(30)32-14-24(29)16-2-7-18(27)8-3-16/h2-13H,14H2,1H3