4-azanyl-2-[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[2-[(2-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-(3-keto-2-o-anisylidene-coumaran-6-yl)oxyacetyl]amino]butyric acid Formula: C22H20N2O8 MolecularWeight: 440.4028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O8/c1-30-16-5-3-2-4-12(16)8-18-21(27)14-7-6-13(9-17(14)32-18)31-11-20(26)24-15(22(28)29)10-19(23)25/h2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,26)(H,28,29)