[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=C(N=CC=C1)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20ClN3O4/c1-12(2)16(23-18(25)13-7-4-3-5-8-13)19(26)27-11-15(24)22-14-9-6-10-21-17(14)20/h3-10,12,16H,11H2,1-2H3,(H,22,24)(H,23,25)/t16-/m1/s1