(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one

Systemtic Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one Openeye Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylene)-2-(2-benzyloxyethyl)-6,7-dimethoxy-isoindolin-1-one CAS Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)-1-isoindolone IUPAC Name: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6,7-dimethoxy-2-(2-phenylmethoxyethyl)isoindol-1-one Traditional Name: (3Z)-2-(2-benzoxyethyl)-6,7-dimethoxy-3-piperonylidene-isoindolin-1-one Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC3=CC4=C(C=C3)OCO4)N(C2=O)CCOCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)/C(=C/C3=CC4=C(C=C3)OCO4)/N(C2=O)CCOCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H25NO6/c1-30-23-11-9-20-21(14-19-8-10-22-24(15-19)34-17-33-22)28(27(29)25(20)26(23)31-2)12-13-32-16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3/b21-14-