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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-14(2)12-17(18(24)26-4)20-10-11-21(15(3)23)22(19(20)25)13-16-8-6-5-7-9-16/h5-9,14,17H,10-13H2,1-4H3/t17-/m0/s1