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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylcarbonyl)phenyl]amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-benzoylanilino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(2-benzoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylanilino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(2-benzoylanilino)-2-keto-ethyl] ester Formula: C31H21BrN2O4 MolecularWeight: 565.41344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C31H21BrN2O4/c32-22-12-8-11-21(17-22)28-18-25(23-13-4-6-15-26(23)33-28)31(37)38-19-29(35)34-27-16-7-5-14-24(27)30(36)20-9-2-1-3-10-20/h1-18H,19H2,(H,34,35)