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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

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