5-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]furan-2-carboxylate

Systemtic Name: 5-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]furan-2-carboxylate Openeye Name: 5-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]furan-2-carboxylate CAS Name: 5-[[2-cyanoethyl(3-pyridinylmethyl)amino]methyl]-2-furancarboxylate IUPAC Name: 5-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]furan-2-carboxylate Traditional Name: 5-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]-2-furoate Formula: C15H14N3O3- MolecularWeight: 284.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C15H15N3O3/c16-6-2-8-18(10-12-3-1-7-17-9-12)11-13-4-5-14(21-13)15(19)20/h1,3-5,7,9H,2,8,10-11H2,(H,19,20)/p-1