2-[2-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]-3-hydroxy-butyric acid Formula: C21H17ClFNO7 MolecularWeight: 449.813583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC=C3Cl)F)O2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC=C3Cl)F)O2)O

InChI

InChI=1S/C21H17ClFNO7/c1-10(25)19(21(28)29)24-18(26)9-30-11-5-6-12-16(7-11)31-17(20(12)27)8-13-14(22)3-2-4-15(13)23/h2-8,10,19,25H,9H2,1H3,(H,24,26)(H,28,29)