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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

C1=CN=CC=C1C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C13H14N2O4/c14-9-13(5-1-11(16)17,6-2-12(18)19)10-3-7-15-8-4-10/h3-4,7-8H,1-2,5-6H2,(H,16,17)(H,18,19)