[(2S)-1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(2-chlorophenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(2-chlorophenyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-(2-chlorophenyl)propanoate CAS Name: 3-(2-chlorophenyl)propanoic acid [(2S)-1-oxo-1-(2-pyrimidinylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 3-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)propionic acid [(1S)-2-keto-1-methyl-2-(2-pyrimidylamino)ethyl] ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)OC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=CC=N1)OC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H16ClN3O3/c1-11(15(22)20-16-18-9-4-10-19-16)23-14(21)8-7-12-5-2-3-6-13(12)17/h2-6,9-11H,7-8H2,1H3,(H,18,19,20,22)/t11-/m0/s1