4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]butanoic acid

Systemtic Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]butanoic acid Openeye Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]butanoic acid CAS Name: 4-[2-cyanoethyl(3-pyridinylmethyl)amino]butanoic acid IUPAC Name: 4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]butanoic acid Traditional Name: 4-[2-cyanoethyl(3-pyridylmethyl)amino]butyric acid Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c14-6-3-9-16(8-2-5-13(17)18)11-12-4-1-7-15-10-12/h1,4,7,10H,2-3,5,8-9,11H2,(H,17,18)