2-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]-4,5-dimethoxy-benzoic acid Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)OC

InChI

InChI=1S/C23H22N2O8/c1-31-18-9-16(23(29)30)17(10-19(18)32-2)24-20(26)12-5-6-14-15(8-12)22(28)25(21(14)27)11-13-4-3-7-33-13/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,24,26)(H,29,30)