6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-cyanoethyl(3-pyridylmethyl)amino]-6-oxo-hexanoic acid CAS Name: 6-[2-cyanoethyl(3-pyridinylmethyl)amino]-6-oxohexanoic acid IUPAC Name: 6-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-6-oxohexanoic acid Traditional Name: 6-[2-cyanoethyl(3-pyridylmethyl)amino]-6-keto-hexanoic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3/c16-8-4-10-18(12-13-5-3-9-17-11-13)14(19)6-1-2-7-15(20)21/h3,5,9,11H,1-2,4,6-7,10,12H2,(H,20,21)