1-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]isonipecotic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CO4)O3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CO4)O3

InChI

InChI=1S/C21H19NO7/c23-19(22-7-5-13(6-8-22)21(25)26)12-28-15-3-4-16-17(10-15)29-18(20(16)24)11-14-2-1-9-27-14/h1-4,9-11,13H,5-8,12H2,(H,25,26)