[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-chloro-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-chloro-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-chloro-3-methyl-2-phenyl-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=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)Br)Cl)C4=CC=CC=C4

InChI

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