[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid (2-cumidino-2-keto-ethyl) ester Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H23BrN2O3/c1-17(2)18-10-12-21(13-11-18)29-26(31)16-33-27(32)23-15-25(19-6-5-7-20(28)14-19)30-24-9-4-3-8-22(23)24/h3-15,17H,16H2,1-2H3,(H,29,31)