3-[5-tert-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[5-tert-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid Openeye Name: 3-(5-tert-butyl-1,3-dioxo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid CAS Name: 3-(5-tert-butyl-1,3-dioxo-2-isoindolyl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid IUPAC Name: 3-(5-tert-butyl-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid Traditional Name: 3-(5-tert-butyl-1,3-diketo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C24H27NO6 MolecularWeight: 425.47428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C24H27NO6/c1-6-31-20-11-14(7-10-19(20)30-5)18(13-21(26)27)25-22(28)16-9-8-15(24(2,3)4)12-17(16)23(25)29/h7-12,18H,6,13H2,1-5H3,(H,26,27)