[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C32H21BrN2O3 MolecularWeight: 561.42474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Br

InChI

InChI=1S/C32H21BrN2O3/c33-22-16-14-20(15-17-22)29-18-25(23-10-5-7-13-28(23)35-29)32(37)38-31(21-8-2-1-3-9-21)30(36)26-19-34-27-12-6-4-11-24(26)27/h1-19,31,34H