[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic 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-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C)Cl)C

InChI

InChI=1S/C20H21ClN2O4/c1-12-9-13(2)22-19(21)18(12)20(26)27-11-17(25)23-16(14(3)24)10-15-7-5-4-6-8-15/h4-9,16H,10-11H2,1-3H3,(H,23,25)/t16-/m0/s1