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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-11(8-13(17)18)16(7-3-5-14)10-12-4-2-6-15-9-12/h2,4,6,9,11H,3,7-8,10H2,1H3,(H,17,18)