[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(4-heptoxycarbonylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(4-heptoxycarbonylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[heptoxy(oxo)methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(4-heptoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-heptoxycarbonylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C31H28BrNO7 MolecularWeight: 606.46052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H28BrNO7/c1-2-3-4-5-6-17-39-30(37)21-9-14-24(15-10-21)33-28(35)25-16-11-22(18-26(25)29(33)36)31(38)40-19-27(34)20-7-12-23(32)13-8-20/h7-16,18H,2-6,17,19H2,1H3