[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(4-methoxyphenyl)prop-2-ynoate

Systemtic Name: [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(4-methoxyphenyl)prop-2-ynoate Openeye Name: [(E)-3-(1,3-benzodioxol-5-yl)allyl] 3-(4-methoxyphenyl)prop-2-ynoate CAS Name: 3-(4-methoxyphenyl)-2-propynoic acid [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] ester IUPAC Name: [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(4-methoxyphenyl)prop-2-ynoate Traditional Name: 3-(4-methoxyphenyl)propiolic acid [(E)-3-(1,3-benzodioxol-5-yl)allyl] ester Formula: C20H16O5 MolecularWeight: 336.33804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)OCC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)OC/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H16O5/c1-22-17-8-4-15(5-9-17)7-11-20(21)23-12-2-3-16-6-10-18-19(13-16)25-14-24-18/h2-6,8-10,13H,12,14H2,1H3/b3-2+