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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4

InChI

InChI=1S/C22H20N2O6/c1-12-15(5-2-6-16(12)22(28)29)19(25)23-13-7-8-17-18(10-13)21(27)24(20(17)26)11-14-4-3-9-30-14/h2,5-8,10,14H,3-4,9,11H2,1H3,(H,23,25)(H,28,29)