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

Systemtic Name: 2-[[2-(3-methylpentan-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[[2-(1,2-dimethylbutyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-[[[2-(3-methylpentan-2-yl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-methylpentan-2-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 2-[[2-(1,2-dimethylbutyl)-1,3-diketo-isoindoline-5-carbonyl]amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(C)C(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-4-12(2)13(3)24-20(26)15-10-9-14(11-17(15)21(24)27)19(25)23-18-8-6-5-7-16(18)22(28)29/h5-13H,4H2,1-3H3,(H,23,25)(H,28,29)