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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C(=O)O

InChI

InChI=1S/C22H20N2O6/c1-12-4-5-13(9-17(12)22(28)29)19(25)23-14-6-7-16-18(10-14)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)