3-[2-(hydroxymethyl)-4-oxidanylidene-5-phenylmethoxy-pyridin-1-yl]propanoic acid

Systemtic Name: 3-[2-(hydroxymethyl)-4-oxidanylidene-5-phenylmethoxy-pyridin-1-yl]propanoic acid Openeye Name: 3-[5-benzyloxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]propanoic acid CAS Name: 3-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]propanoic acid IUPAC Name: 3-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxypyridin-1-yl]propanoic acid Traditional Name: 3-(5-benzoxy-4-keto-2-methylol-1-pyridyl)propionic acid Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN(C(=CC2=O)CO)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN(C(=CC2=O)CO)CCC(=O)O

InChI

InChI=1S/C16H17NO5/c18-10-13-8-14(19)15(9-17(13)7-6-16(20)21)22-11-12-4-2-1-3-5-12/h1-5,8-9,18H,6-7,10-11H2,(H,20,21)