methyl 4-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]benzoate CAS Name: 4-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]benzoate Traditional Name: 4-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]benzoic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C22H20N2O6/c1-29-22(28)13-4-7-15(8-5-13)23-19(25)14-6-9-17-18(11-14)21(27)24(20(17)26)12-16-3-2-10-30-16/h4-9,11,16H,2-3,10,12H2,1H3,(H,23,25)