[2,4,6-tris(oxidanylidene)-5-phenethyl-1,3-diazinan-5-yl] butanoate

Systemtic Name: [2,4,6-tris(oxidanylidene)-5-phenethyl-1,3-diazinan-5-yl] butanoate Openeye Name: (2,4,6-trioxo-5-phenethyl-hexahydropyrimidin-5-yl) butanoate CAS Name: butanoic acid (2,4,6-trioxo-5-phenethyl-1,3-diazinan-5-yl) ester IUPAC Name: (2,4,6-trioxo-5-phenethyl-1,3-diazinan-5-yl) butanoate Traditional Name: butyric acid (2,4,6-triketo-5-phenethyl-hexahydropyrimidin-5-yl) ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)OC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5/c1-2-6-12(19)23-16(10-9-11-7-4-3-5-8-11)13(20)17-15(22)18-14(16)21/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18,20,21,22)