2-(1,4-dioxan-2-yloxy)-2-(pyridin-3-ylmethyl)propanedioic acid

Systemtic Name: 2-(1,4-dioxan-2-yloxy)-2-(pyridin-3-ylmethyl)propanedioic acid Openeye Name: 2-(1,4-dioxan-2-yloxy)-2-(3-pyridylmethyl)propanedioic acid CAS Name: 2-(1,4-dioxan-2-yloxy)-2-(3-pyridinylmethyl)propanedioic acid IUPAC Name: 2-(1,4-dioxan-2-yloxy)-2-(pyridin-3-ylmethyl)propanedioic acid Traditional Name: 2-(1,4-dioxan-2-yloxy)-2-(3-pyridylmethyl)malonic acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)OC(CC2=CN=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1COC(CO1)OC(CC2=CN=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO7/c15-11(16)13(12(17)18,6-9-2-1-3-14-7-9)21-10-8-19-4-5-20-10/h1-3,7,10H,4-6,8H2,(H,15,16)(H,17,18)