2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[[2-(furan-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-(2-furanylmethylidene)-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-(2-furfurylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]-4-methyl-valeric acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-12(2)8-16(21(25)26)22-19(23)11-28-14-5-6-15-17(9-14)29-18(20(15)24)10-13-4-3-7-27-13/h3-7,9-10,12,16H,8,11H2,1-2H3,(H,22,23)(H,25,26)