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

Systemtic Name: [4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-o-phenetylacryloyl]phenyl] ester Formula: C25H20O6 MolecularWeight: 416.4227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H20O6/c1-2-28-22-6-4-3-5-18(22)9-13-21(26)17-7-11-20(12-8-17)31-25(27)19-10-14-23-24(15-19)30-16-29-23/h3-15H,2,16H2,1H3/b13-9+