[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]phenyl] ester Formula: C25H20O7 MolecularWeight: 432.4221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H20O7/c1-28-21-11-4-16(13-23(21)29-2)3-10-20(26)17-5-8-19(9-6-17)32-25(27)18-7-12-22-24(14-18)31-15-30-22/h3-14H,15H2,1-2H3/b10-3+