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

Systemtic Name: 3-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 3-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 3-[[2-cyanoethyl(3-pyridinylmethyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 3-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 3-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]-2-furoic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)CC2=C(OC=C2)C(=O)O

InChI

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