diethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioate

Systemtic Name: diethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioate Openeye Name: diethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylene]butanedioate CAS Name: (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioic acid diethyl ester IUPAC Name: diethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioate Traditional Name: (3E)-2-piperonyl-3-veratrylidene-succinic acid diethyl ester Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C(=CC3=CC(=C(C=C3)OC)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)/C(=C\C3=CC(=C(C=C3)OC)OC)/C(=O)OCC

InChI

InChI=1S/C25H28O8/c1-5-30-24(26)18(11-16-7-9-20(28-3)22(13-16)29-4)19(25(27)31-6-2)12-17-8-10-21-23(14-17)33-15-32-21/h7-11,13-14,19H,5-6,12,15H2,1-4H3/b18-11+