2-[2-(4-chloranylpyridin-2-yl)-1-ethoxy-butyl]propanedioic acid

Systemtic Name: 2-[2-(4-chloranylpyridin-2-yl)-1-ethoxy-butyl]propanedioic acid Openeye Name: 2-[2-(4-chloro-2-pyridyl)-1-ethoxy-butyl]propanedioic acid CAS Name: 2-[2-(4-chloro-2-pyridinyl)-1-ethoxybutyl]propanedioic acid IUPAC Name: 2-[2-(4-chloropyridin-2-yl)-1-ethoxybutyl]propanedioic acid Traditional Name: 2-[2-(4-chloro-2-pyridyl)-1-ethoxy-butyl]malonic acid Formula: C14H18ClNO5 MolecularWeight: 315.74942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO5/c1-3-9(10-7-8(15)5-6-16-10)12(21-4-2)11(13(17)18)14(19)20/h5-7,9,11-12H,3-4H2,1-2H3,(H,17,18)(H,19,20)