methyl (2S)-2-[3-oxidanylidenebutanoyl-(2,4,6-trimethylpyridin-3-yl)amino]propanoate

Systemtic Name: methyl (2S)-2-[3-oxidanylidenebutanoyl-(2,4,6-trimethylpyridin-3-yl)amino]propanoate Openeye Name: methyl (2S)-2-[3-oxobutanoyl-(2,4,6-trimethyl-3-pyridyl)amino]propanoate CAS Name: (2S)-2-[1,3-dioxobutyl-(2,4,6-trimethyl-3-pyridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-oxobutanoyl-(2,4,6-trimethylpyridin-3-yl)amino]propanoate Traditional Name: (2S)-2-[acetoacetyl-(2,4,6-trimethyl-3-pyridyl)amino]propionic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1N(C(C)C(=O)OC)C(=O)CC(=O)C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1N([C@@H](C)C(=O)OC)C(=O)CC(=O)C)C)C

InChI

InChI=1S/C16H22N2O4/c1-9-7-10(2)17-12(4)15(9)18(13(5)16(21)22-6)14(20)8-11(3)19/h7,13H,8H2,1-6H3/t13-/m0/s1