[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H22BrN3O4 MolecularWeight: 532.38528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H22BrN3O4/c1-16(26(33)30-21-12-10-20(11-13-21)29-17(2)32)35-27(34)23-15-25(18-6-5-7-19(28)14-18)31-24-9-4-3-8-22(23)24/h3-16H,1-2H3,(H,29,32)(H,30,33)