ethanedioic acid; 1-(2-hydroxyethyl)-3-[2-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]urea

Systemtic Name: ethanedioic acid; 1-(2-hydroxyethyl)-3-[2-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]urea Openeye Name: 1-(2-hydroxyethyl)-3-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]urea; oxalic acid CAS Name: 1-(2-hydroxyethyl)-3-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]urea; oxalic acid IUPAC Name: 1-(2-hydroxyethyl)-3-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]urea; oxalic acid Traditional Name: 1-(2-hydroxyethyl)-3-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]urea; oxalic acid Formula: C16H25N3O9 MolecularWeight: 403.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)OCC(CNCCNC(=O)NCCO)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1O)OCC(CNCCNC(=O)NCCO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23N3O5.C2H2O4/c18-8-7-17-14(21)16-6-5-15-9-12(20)10-22-13-3-1-11(19)2-4-13;3-1(4)2(5)6/h1-4,12,15,18-20H,5-10H2,(H2,16,17,21);(H,3,4)(H,5,6)