[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C31H23BrN2O4 MolecularWeight: 567.42932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C31H23BrN2O4/c1-37-24-11-7-10-23(18-24)33-30(35)29(21-8-3-2-4-9-21)38-31(36)26-19-28(20-14-16-22(32)17-15-20)34-27-13-6-5-12-25(26)27/h2-19,29H,1H3,(H,33,35)