ethanedioic acid; 4-[2-[(2-oxidanyl-3-pyrimidin-2-yloxy-propyl)amino]ethoxy]benzamide

Systemtic Name: ethanedioic acid; 4-[2-[(2-oxidanyl-3-pyrimidin-2-yloxy-propyl)amino]ethoxy]benzamide Openeye Name: 4-[2-[(2-hydroxy-3-pyrimidin-2-yloxy-propyl)amino]ethoxy]benzamide; oxalic acid CAS Name: 4-[2-[[2-hydroxy-3-(2-pyrimidinyloxy)propyl]amino]ethoxy]benzamide; oxalic acid IUPAC Name: 4-[2-[(2-hydroxy-3-pyrimidin-2-yloxypropyl)amino]ethoxy]benzamide; oxalic acid Traditional Name: 4-[2-[[2-hydroxy-3-(2-pyrimidyloxy)propyl]amino]ethoxy]benzamide; oxalic acid Formula: C18H22N4O8 MolecularWeight: 422.38928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CN=C(N=C1)OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20N4O4.C2H2O4/c17-15(22)12-2-4-14(5-3-12)23-9-8-18-10-13(21)11-24-16-19-6-1-7-20-16;3-1(4)2(5)6/h1-7,13,18,21H,8-11H2,(H2,17,22);(H,3,4)(H,5,6)