(3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(4-bromanylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(4-bromanylphenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(4-bromophenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-(4-bromophenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(4-bromophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-(4-bromophenoxy)phenyl]-1,3-diketo-isoindoline-5-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H22BrNO6 MolecularWeight: 536.37068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO6/c1-27(2,3)23(30)15-34-26(33)16-4-13-21-22(14-16)25(32)29(24(21)31)18-7-11-20(12-8-18)35-19-9-5-17(28)6-10-19/h4-14H,15H2,1-3H3