3-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]-4-methyl-benzoic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N[C@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C18H17NO6/c1-9-4-5-10(17(20)21)8-12(9)19-16-11-6-7-13(23-2)15(24-3)14(11)18(22)25-16/h4-8,16,19H,1-3H3,(H,20,21)/t16-/m1/s1