[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-chlorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-8-methyl-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=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

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