[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-14(26)19(11-15-7-3-2-4-8-15)25-21(27)13-29-22(28)17-12-20(23)24-18-10-6-5-9-16(17)18/h2-10,12,19H,11,13H2,1H3,(H,25,27)/t19-/m0/s1