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

Systemtic Name: 3-methyl-4-[[2-(2-methylpropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[(2-isobutyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[(2-isobutyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-methyl-benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-11(2)10-23-19(25)15-6-4-13(9-16(15)20(23)26)18(24)22-17-7-5-14(21(27)28)8-12(17)3/h4-9,11H,10H2,1-3H3,(H,22,24)(H,27,28)