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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H18N2O6/c24-18(22-14-4-1-3-13(9-14)21(27)28)12-6-7-16-17(10-12)20(26)23(19(16)25)11-15-5-2-8-29-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2,(H,22,24)(H,27,28)