5-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-cyanoethyl(3-pyridylmethyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[2-cyanoethyl(3-pyridinylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-oxopentanoic acid Traditional Name: 5-[2-cyanoethyl(3-pyridylmethyl)amino]-5-keto-valeric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c15-7-3-9-17(11-12-4-2-8-16-10-12)13(18)5-1-6-14(19)20/h2,4,8,10H,1,3,5-6,9,11H2,(H,19,20)