(3E)-3-[(2-bromophenyl)methylidene]-5,6-dimethoxy-2-[(4-methoxyphenyl)methyl]isoindol-1-one

Systemtic Name: (3E)-3-[(2-bromophenyl)methylidene]-5,6-dimethoxy-2-[(4-methoxyphenyl)methyl]isoindol-1-one Openeye Name: (3E)-3-[(2-bromophenyl)methylene]-5,6-dimethoxy-2-[(4-methoxyphenyl)methyl]isoindolin-1-one CAS Name: (3E)-3-[(2-bromophenyl)methylidene]-5,6-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-isoindolone IUPAC Name: (3E)-3-[(2-bromophenyl)methylidene]-5,6-dimethoxy-2-[(4-methoxyphenyl)methyl]isoindol-1-one Traditional Name: (3E)-3-(2-bromobenzylidene)-5,6-dimethoxy-2-p-anisyl-isoindolin-1-one Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC3=CC=CC=C3Br)C4=CC(=C(C=C4C2=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2/C(=C/C3=CC=CC=C3Br)/C4=CC(=C(C=C4C2=O)OC)OC

InChI

InChI=1S/C25H22BrNO4/c1-29-18-10-8-16(9-11-18)15-27-22(12-17-6-4-5-7-21(17)26)19-13-23(30-2)24(31-3)14-20(19)25(27)28/h4-14H,15H2,1-3H3/b22-12+