(4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[3-(1-imidazolyl)propyl]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-quinone Formula: C27H27N3O8 MolecularWeight: 521.51858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2/C(=C(/C3=CC4=C(C=C3)OCO4)\O)/C(=O)C(=O)N2CCCN5C=CN=C5

InChI

InChI=1S/C27H27N3O8/c1-34-20-12-17(13-21(35-2)26(20)36-3)23-22(24(31)16-5-6-18-19(11-16)38-15-37-18)25(32)27(33)30(23)9-4-8-29-10-7-28-14-29/h5-7,10-14,23,31H,4,8-9,15H2,1-3H3/b24-22+