3-methyl-2-(1-oxidanyl-1-pyridin-4-yl-ethyl)pentanoic acid

Systemtic Name: 3-methyl-2-(1-oxidanyl-1-pyridin-4-yl-ethyl)pentanoic acid Openeye Name: 2-[1-hydroxy-1-(4-pyridyl)ethyl]-3-methyl-pentanoic acid CAS Name: 2-(1-hydroxy-1-pyridin-4-ylethyl)-3-methylpentanoic acid IUPAC Name: 2-(1-hydroxy-1-pyridin-4-ylethyl)-3-methylpentanoic acid Traditional Name: 2-[1-hydroxy-1-(4-pyridyl)ethyl]-3-methyl-valeric acid Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)C(C)(C1=CC=NC=C1)O

Isomeric SMILES

CCC(C)C(C(=O)O)C(C)(C1=CC=NC=C1)O

InChI

InChI=1S/C13H19NO3/c1-4-9(2)11(12(15)16)13(3,17)10-5-7-14-8-6-10/h5-9,11,17H,4H2,1-3H3,(H,15,16)