4-cyano-4-pyridin-3-yl-heptanedioic acid

Systemtic Name: 4-cyano-4-pyridin-3-yl-heptanedioic acid Openeye Name: 4-cyano-4-(3-pyridyl)heptanedioic acid CAS Name: 4-cyano-4-(3-pyridinyl)heptanedioic acid IUPAC Name: 4-cyano-4-pyridin-3-ylheptanedioic acid Traditional Name: 4-cyano-4-(3-pyridyl)pimelic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c14-9-13(5-3-11(16)17,6-4-12(18)19)10-2-1-7-15-8-10/h1-2,7-8H,3-6H2,(H,16,17)(H,18,19)