3-[5-cyano-1-(furan-2-ylmethyl)-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl]propanoic acid

Systemtic Name: 3-[5-cyano-1-(furan-2-ylmethyl)-2,4-dimethyl-6-oxidanylidene-pyridin-3-yl]propanoic acid Openeye Name: 3-[5-cyano-1-(2-furylmethyl)-2,4-dimethyl-6-oxo-3-pyridyl]propanoic acid CAS Name: 3-[5-cyano-1-(2-furanylmethyl)-2,4-dimethyl-6-oxo-3-pyridinyl]propanoic acid IUPAC Name: 3-[5-cyano-1-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyridin-3-yl]propanoic acid Traditional Name: 3-[5-cyano-1-(2-furfuryl)-6-keto-2,4-dimethyl-3-pyridyl]propionic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CCC(=O)O)C)CC2=CC=CO2)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CCC(=O)O)C)CC2=CC=CO2)C#N

InChI

InChI=1S/C16H16N2O4/c1-10-13(5-6-15(19)20)11(2)18(16(21)14(10)8-17)9-12-4-3-7-22-12/h3-4,7H,5-6,9H2,1-2H3,(H,19,20)