2-[4-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]phenoxy]acetic acid CAS Name: 2-[4-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenoxy]acetic acid Traditional Name: 2-[4-[(2-tert-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]phenoxy]acetic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H20N2O6/c1-21(2,3)23-19(27)15-9-4-12(10-16(15)20(23)28)18(26)22-13-5-7-14(8-6-13)29-11-17(24)25/h4-10H,11H2,1-3H3,(H,22,26)(H,24,25)