2-[[1-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]-2-phenyl-ethyl]amino]ethanoic acid

Systemtic Name: 2-[[1-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]-2-phenyl-ethyl]amino]ethanoic acid Openeye Name: 2-[[1-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)-2-phenyl-ethyl]amino]acetic acid CAS Name: 2-[[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-2-phenylethyl]amino]acetic acid IUPAC Name: 2-[[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-2-phenylethyl]amino]acetic acid Traditional Name: 2-[[2-phenyl-1-(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)ethyl]amino]acetic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(CC2=CC=CC=C2)NCC(=O)O)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C(CC2=CC=CC=C2)NCC(=O)O)C(=O)N(C1=O)C

InChI

InChI=1S/C16H17N3O5/c1-18-14(22)13(15(23)19(2)16(18)24)11(17-9-12(20)21)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H,20,21)