2-(2-pyridin-3-ylbutyl)propanedioic acid

Systemtic Name: 2-(2-pyridin-3-ylbutyl)propanedioic acid Openeye Name: 2-[2-(3-pyridyl)butyl]propanedioic acid CAS Name: 2-[2-(3-pyridinyl)butyl]propanedioic acid IUPAC Name: 2-(2-pyridin-3-ylbutyl)propanedioic acid Traditional Name: 2-[2-(3-pyridyl)butyl]malonic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-8(9-4-3-5-13-7-9)6-10(11(14)15)12(16)17/h3-5,7-8,10H,2,6H2,1H3,(H,14,15)(H,16,17)