2-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethanoylamino]benzoic acid

Systemtic Name: 2-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)acetyl]amino]benzoic acid Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC(=O)NC3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CC(=O)NC3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C19H17NO7/c1-9-12-8-27-19(25)15(12)16(22)11(17(9)26-2)7-14(21)20-13-6-4-3-5-10(13)18(23)24/h3-6,22H,7-8H2,1-2H3,(H,20,21)(H,23,24)