7-[(3-cyanopyridin-2-yl)amino]heptanoic acid

Systemtic Name: 7-[(3-cyanopyridin-2-yl)amino]heptanoic acid Openeye Name: 7-[(3-cyano-2-pyridyl)amino]heptanoic acid CAS Name: 7-[(3-cyano-2-pyridinyl)amino]heptanoic acid IUPAC Name: 7-[(3-cyanopyridin-2-yl)amino]heptanoic acid Traditional Name: 7-[(3-cyano-2-pyridyl)amino]enanthic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCCCCCC(=O)O)C#N

Isomeric SMILES

C1=CC(=C(N=C1)NCCCCCCC(=O)O)C#N

InChI

InChI=1S/C13H17N3O2/c14-10-11-6-5-9-16-13(11)15-8-4-2-1-3-7-12(17)18/h5-6,9H,1-4,7-8H2,(H,15,16)(H,17,18)