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

Systemtic Name: 2-(1,4-dioxan-2-yloxy)-2-(quinolin-3-ylmethyl)propanedioic acid Openeye Name: 2-(1,4-dioxan-2-yloxy)-2-(3-quinolylmethyl)propanedioic acid CAS Name: 2-(1,4-dioxan-2-yloxy)-2-(3-quinolinylmethyl)propanedioic acid IUPAC Name: 2-(1,4-dioxan-2-yloxy)-2-(quinolin-3-ylmethyl)propanedioic acid Traditional Name: 2-(1,4-dioxan-2-yloxy)-2-(3-quinolylmethyl)malonic acid Formula: C17H17NO7 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CO1)OC(CC2=CC3=CC=CC=C3N=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1COC(CO1)OC(CC2=CC3=CC=CC=C3N=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C17H17NO7/c19-15(20)17(16(21)22,25-14-10-23-5-6-24-14)8-11-7-12-3-1-2-4-13(12)18-9-11/h1-4,7,9,14H,5-6,8,10H2,(H,19,20)(H,21,22)