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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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