[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)hexanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 2-phthalimidohexanoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5/c1-2-3-8-18(24-20(26)16-6-4-5-7-17(16)21(24)27)22(28)29-13-19(25)14-9-11-15(23)12-10-14/h4-7,9-12,18H,2-3,8,13H2,1H3