2-(oxan-2-yloxy)-2-(quinolin-2-ylmethyl)propanedioic acid

Systemtic Name: 2-(oxan-2-yloxy)-2-(quinolin-2-ylmethyl)propanedioic acid Openeye Name: 2-(2-quinolylmethyl)-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-(2-oxanyloxy)-2-(2-quinolinylmethyl)propanedioic acid IUPAC Name: 2-(oxan-2-yloxy)-2-(quinolin-2-ylmethyl)propanedioic acid Traditional Name: 2-(2-quinolylmethyl)-2-tetrahydropyran-2-yloxy-malonic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CC2=NC3=CC=CC=C3C=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CC2=NC3=CC=CC=C3C=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H19NO6/c20-16(21)18(17(22)23,25-15-7-3-4-10-24-15)11-13-9-8-12-5-1-2-6-14(12)19-13/h1-2,5-6,8-9,15H,3-4,7,10-11H2,(H,20,21)(H,22,23)