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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 8-chloro-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 8-chloro-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(p-tolyl)cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H17BrClNO3 MolecularWeight: 494.76438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=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/C25H17BrClNO3/c1-15-5-7-16(8-6-15)22-13-20(19-3-2-4-21(27)24(19)28-22)25(30)31-14-23(29)17-9-11-18(26)12-10-17/h2-13H,14H2,1H3