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

Systemtic Name: 2-[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[2-[(2-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-(3-keto-2-o-anisylidene-coumaran-6-yl)oxyacetyl]amino]glutaric acid Formula: C23H21NO9 MolecularWeight: 455.41414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H21NO9/c1-31-17-5-3-2-4-13(17)10-19-22(28)15-7-6-14(11-18(15)33-19)32-12-20(25)24-16(23(29)30)8-9-21(26)27/h2-7,10-11,16H,8-9,12H2,1H3,(H,24,25)(H,26,27)(H,29,30)