(3E)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-phenethylidene-isoindol-1-one

Systemtic Name: (3E)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-phenethylidene-isoindol-1-one Openeye Name: (3E)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-3-phenethylidene-isoindolin-1-one CAS Name: (3E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-phenethylidene-1-isoindolone IUPAC Name: (3E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-phenethylideneisoindol-1-one Traditional Name: (3E)-2-(4-hydroxy-3,5-dimethoxy-benzyl)-3-phenethylidene-isoindolin-1-one Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2C(=CCC3=CC=CC=C3)C4=CC=CC=C4C2=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2/C(=C/CC3=CC=CC=C3)/C4=CC=CC=C4C2=O

InChI

InChI=1S/C25H23NO4/c1-29-22-14-18(15-23(30-2)24(22)27)16-26-21(13-12-17-8-4-3-5-9-17)19-10-6-7-11-20(19)25(26)28/h3-11,13-15,27H,12,16H2,1-2H3/b21-13+