3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]propanoic acid; ethanedioic acid

Systemtic Name: 3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]propanoic acid; ethanedioic acid Openeye Name: 3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]propanoic acid; oxalic acid CAS Name: 3-[(2,3-dimethoxyphenyl)methyl-methylamino]propanoic acid; oxalic acid IUPAC Name: 3-[(2,3-dimethoxyphenyl)methyl-methylamino]propanoic acid; oxalic acid Traditional Name: 3-[methyl(o-veratryl)amino]propionic acid; oxalic acid Formula: C15H21NO8 MolecularWeight: 343.32914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)CC1=C(C(=CC=C1)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC(=O)O)CC1=C(C(=CC=C1)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO4.C2H2O4/c1-14(8-7-12(15)16)9-10-5-4-6-11(17-2)13(10)18-3;3-1(4)2(5)6/h4-6H,7-9H2,1-3H3,(H,15,16);(H,3,4)(H,5,6)