[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClN3O4/c1-12(19(26)25-21(28)23-2)29-20(27)15-11-18(14-8-3-5-9-16(14)22)24-17-10-6-4-7-13(15)17/h3-12H,1-2H3,(H2,23,25,26,28)/t12-/m0/s1