[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O4/c1-12(19(26)25-21(28)23-2)29-20(27)16-11-18(13-7-9-14(22)10-8-13)24-17-6-4-3-5-15(16)17/h3-12H,1-2H3,(H2,23,25,26,28)/t12-/m1/s1