(3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethyl-piperidin-4-one

Systemtic Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethyl-piperidin-4-one Openeye Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-ethyl-piperidin-4-one CAS Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethyl-4-piperidinone IUPAC Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-ethylpiperidin-4-one Traditional Name: (3E,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-ethyl-4-piperidone Formula: C27H29NO9 MolecularWeight: 511.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CC2=CC(=C3C(=C2OC)OCO3)OC)C(=O)C(=CC4=CC(=C5C(=C4OC)OCO5)OC)C1

Isomeric SMILES

CCN1C/C(=C\C2=CC(=C3OCOC3=C2OC)OC)/C(=O)/C(=C/C4=CC(=C5OCOC5=C4OC)OC)/C1

InChI

InChI=1S/C27H29NO9/c1-6-28-11-17(7-15-9-19(30-2)24-26(22(15)32-4)36-13-34-24)21(29)18(12-28)8-16-10-20(31-3)25-27(23(16)33-5)37-14-35-25/h7-10H,6,11-14H2,1-5H3/b17-7+,18-8+