2-ethyl-2-pyridin-4-yl-pentanedioic acid

Systemtic Name: 2-ethyl-2-pyridin-4-yl-pentanedioic acid Openeye Name: 2-ethyl-2-(4-pyridyl)pentanedioic acid CAS Name: 2-ethyl-2-pyridin-4-ylpentanedioic acid IUPAC Name: 2-ethyl-2-pyridin-4-ylpentanedioic acid Traditional Name: 2-ethyl-2-(4-pyridyl)glutaric acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-12(11(16)17,6-3-10(14)15)9-4-7-13-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,16,17)