methyl (2S)-2-[1-ethanoyl-3-oxidanylidene-2-(phenylmethyl)-1,2,4-triazinan-4-yl]propanoate

Systemtic Name: methyl (2S)-2-[1-ethanoyl-3-oxidanylidene-2-(phenylmethyl)-1,2,4-triazinan-4-yl]propanoate Openeye Name: methyl (2S)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)propanoate CAS Name: (2S)-2-[1-acetyl-3-oxo-2-(phenylmethyl)-1,2,4-triazinan-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)propanoate Traditional Name: (2S)-2-(1-acetyl-2-benzyl-3-keto-1,2,4-triazinan-4-yl)propionic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCN(N(C1=O)CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC)N1CCN(N(C1=O)CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C16H21N3O4/c1-12(15(21)23-3)17-9-10-18(13(2)20)19(16(17)22)11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3/t12-/m0/s1