(2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)Br)OCC

InChI

InChI=1S/C22H22BrNO6/c1-4-28-18-10-14(17(23)11-19(18)29-5-2)12-30-22(27)13(3)24-20(25)15-8-6-7-9-16(15)21(24)26/h6-11,13H,4-5,12H2,1-3H3