2-[4-[[2-(hydroxymethyl)-5-oxidanyl-4-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-(hydroxymethyl)-5-oxidanyl-4-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-hydroxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-hydroxy-4-keto-2-methylol-1-pyridyl)methyl]phenyl]benzoic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C=C3CO)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=C(C(=O)C=C3CO)O)C(=O)O

InChI

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