(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O3/c1-15(22(27)26-12-4-5-13-26)29-23(28)19-14-21(16-8-10-17(24)11-9-16)25-20-7-3-2-6-18(19)20/h2-3,6-11,14-15H,4-5,12-13H2,1H3