2-[[4-(quinolin-3-ylmethoxy)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-(quinolin-3-ylmethoxy)phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(3-quinolylmethoxy)phenyl]methyl]propanedioic acid CAS Name: 2-[[4-(3-quinolinylmethoxy)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-(quinolin-3-ylmethoxy)phenyl]methyl]propanedioic acid Traditional Name: 2-[4-(3-quinolylmethoxy)benzyl]malonic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)COC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)COC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C20H17NO5/c22-19(23)17(20(24)25)10-13-5-7-16(8-6-13)26-12-14-9-15-3-1-2-4-18(15)21-11-14/h1-9,11,17H,10,12H2,(H,22,23)(H,24,25)