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

Systemtic Name: methyl (2S)-2-[1-ethanoyl-3-oxidanylidene-2-(phenylmethyl)-1,2,4-triazinan-4-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)-3-phenyl-propanoate CAS Name: (2S)-2-[1-acetyl-3-oxo-2-(phenylmethyl)-1,2,4-triazinan-4-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-acetyl-2-benzyl-3-oxo-1,2,4-triazinan-4-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(1-acetyl-2-benzyl-3-keto-1,2,4-triazinan-4-yl)-3-phenyl-propionic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(=O)N1CC2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(C(=O)N1CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O4/c1-17(26)24-14-13-23(22(28)25(24)16-19-11-7-4-8-12-19)20(21(27)29-2)15-18-9-5-3-6-10-18/h3-12,20H,13-16H2,1-2H3/t20-/m0/s1