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

Systemtic Name: methyl (2S,3R)-2-[1-ethanoyl-3-oxidanylidene-2-(phenylmethyl)-1,2,4-triazinan-4-yl]-3-methyl-pentanoate Openeye Name: methyl (2S,3R)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)-3-methyl-pentanoate CAS Name: (2S,3R)-2-[1-acetyl-3-oxo-2-(phenylmethyl)-1,2,4-triazinan-4-yl]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)-3-methylpentanoate Traditional Name: (2S,3R)-2-(1-acetyl-2-benzyl-3-keto-1,2,4-triazinan-4-yl)-3-methyl-valeric acid methyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-5-14(2)17(18(24)26-4)20-11-12-21(15(3)23)22(19(20)25)13-16-9-7-6-8-10-16/h6-10,14,17H,5,11-13H2,1-4H3/t14-,17+/m1/s1