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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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