[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O3/c1-13(2)23-20(25)12-27-21(26)17-11-19(14-7-9-15(22)10-8-14)24-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,25)