2-[4-[[2-(hydroxymethyl)-5-oxidanyl-pyridin-4-yl]oxymethyl]phenyl]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC3=CC(=NC=C3O)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC3=CC(=NC=C3O)CO)C(=O)O

InChI

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