[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=C(N=CC=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3/c1-12(14-7-4-3-5-8-14)11-16(22)24-13(2)18(23)21-15-9-6-10-20-17(15)19/h3-10,12-13H,11H2,1-2H3,(H,21,23)/t12-,13-/m1/s1