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

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H23BrN2O3/c1-3-18-11-13-21(14-12-18)29-26(31)17(2)33-27(32)23-16-25(19-7-6-8-20(28)15-19)30-24-10-5-4-9-22(23)24/h4-17H,3H2,1-2H3,(H,29,31)