2-(oxan-2-yloxy)-2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]propanedioic acid

Systemtic Name: 2-(oxan-2-yloxy)-2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(2-quinolylmethoxy)phenyl]methyl]-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-(2-oxanyloxy)-2-[[4-(2-quinolinylmethoxy)phenyl]methyl]propanedioic acid IUPAC Name: 2-(oxan-2-yloxy)-2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]propanedioic acid Traditional Name: 2-[4-(2-quinolylmethoxy)benzyl]-2-tetrahydropyran-2-yloxy-malonic acid Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H25NO7/c27-23(28)25(24(29)30,33-22-7-3-4-14-31-22)15-17-8-12-20(13-9-17)32-16-19-11-10-18-5-1-2-6-21(18)26-19/h1-2,5-6,8-13,22H,3-4,7,14-16H2,(H,27,28)(H,29,30)