[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-methoxyphenyl)cinchoninic acid [2-(4-bromophenyl)-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=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

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