3-[2-[(4-ethanoylphenyl)amino]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid

Systemtic Name: 3-[2-[(4-ethanoylphenyl)amino]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]propanoic acid Openeye Name: 3-[2-(4-acetylanilino)-4-methyl-6-oxo-hexahydropyrimidin-5-yl]propanoic acid CAS Name: 3-[2-(4-acetylanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 3-[2-(4-acetylanilino)-4-methyl-6-oxo-1,3-diazinan-5-yl]propanoic acid Traditional Name: 3-[2-(4-acetylanilino)-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)C(=O)C)CCC(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)NC2=CC=C(C=C2)C(=O)C)CCC(=O)O

InChI

InChI=1S/C16H21N3O4/c1-9-13(7-8-14(21)22)15(23)19-16(17-9)18-12-5-3-11(4-6-12)10(2)20/h3-6,9,13,16-18H,7-8H2,1-2H3,(H,19,23)(H,21,22)