2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]glutaric acid Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=COC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H17NO9/c22-17(21-14(20(26)27)5-6-18(23)24)10-29-12-3-4-13-15(8-12)30-16(19(13)25)9-11-2-1-7-28-11/h1-4,7-9,14H,5-6,10H2,(H,21,22)(H,23,24)(H,26,27)