ethanedioic acid; methyl 3-[2-oxidanyl-3-(2-oxidanylpropylamino)propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-[2-oxidanyl-3-(2-oxidanylpropylamino)propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzoate; oxalic acid CAS Name: 3-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzoate; oxalic acid Traditional Name: 3-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzoic acid methyl ester; oxalic acid Formula: C16H23NO9 MolecularWeight: 373.35512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(COC1=CC=CC(=C1)C(=O)OC)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCC(COC1=CC=CC(=C1)C(=O)OC)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO5.C2H2O4/c1-10(16)7-15-8-12(17)9-20-13-5-3-4-11(6-13)14(18)19-2;3-1(4)2(5)6/h3-6,10,12,15-17H,7-9H2,1-2H3;(H,3,4)(H,5,6)