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

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]-3-methyl-valeric acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CO3)O2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CO3)O2

InChI

InChI=1S/C21H21NO7/c1-3-12(2)19(21(25)26)22-18(23)11-28-14-6-7-15-16(9-14)29-17(20(15)24)10-13-5-4-8-27-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)(H,25,26)