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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CCC#N)CC1=CN=CC=C1

Isomeric SMILES

CCC(C(=O)O)N(CCC#N)CC1=CN=CC=C1

InChI

InChI=1S/C13H17N3O2/c1-2-12(13(17)18)16(8-4-6-14)10-11-5-3-7-15-9-11/h3,5,7,9,12H,2,4,8,10H2,1H3,(H,17,18)