3-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)propanoic acid; 3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoic acid; hydrochloride

Systemtic Name: 3-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)propanoic acid; 3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoic acid; hydrochloride Openeye Name: 3-(3-benzyloxy-2-methyl-4-oxo-1-pyridyl)propanoic acid; 3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoic acid; hydrochloride CAS Name: 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid; 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid; hydrochloride IUPAC Name: 3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propanoic acid; 3-(2-methyl-4-oxo-3-phenylmethoxypyridin-1-yl)propanoic acid; hydrochloride Traditional Name: 3-(3-benzoxy-4-keto-2-methyl-1-pyridyl)propionic acid; 3-(3-hydroxy-4-keto-2-methyl-1-pyridyl)propionic acid; hydrochloride Formula: C25H29ClN2O8 MolecularWeight: 520.95936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCC(=O)O)O.CC1=C(C(=O)C=CN1CCC(=O)O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CC1=C(C(=O)C=CN1CCC(=O)O)O.CC1=C(C(=O)C=CN1CCC(=O)O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H17NO4.C9H11NO4.ClH/c1-12-16(21-11-13-5-3-2-4-6-13)14(18)7-9-17(12)10-8-15(19)20;1-6-9(14)7(11)2-4-10(6)5-3-8(12)13;/h2-7,9H,8,10-11H2,1H3,(H,19,20);2,4,14H,3,5H2,1H3,(H,12,13);1H