ethanedioic acid; 3-[2-(4-methylphenoxy)ethylamino]propanoic acid

Systemtic Name: ethanedioic acid; 3-[2-(4-methylphenoxy)ethylamino]propanoic acid Openeye Name: 3-[2-(4-methylphenoxy)ethylamino]propanoic acid; oxalic acid CAS Name: 3-[2-(4-methylphenoxy)ethylamino]propanoic acid; oxalic acid IUPAC Name: 3-[2-(4-methylphenoxy)ethylamino]propanoic acid; oxalic acid Traditional Name: 3-[2-(4-methylphenoxy)ethylamino]propionic acid; oxalic acid Formula: C14H19NO7 MolecularWeight: 313.30316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNCCC(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCNCCC(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17NO3.C2H2O4/c1-10-2-4-11(5-3-10)16-9-8-13-7-6-12(14)15;3-1(4)2(5)6/h2-5,13H,6-9H2,1H3,(H,14,15);(H,3,4)(H,5,6)