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

Systemtic Name: [(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] 3-(3,4-dimethoxyphenyl)prop-2-ynoate Openeye Name: [(E)-3-(1,3-benzodioxol-5-yl)allyl] 3-(3,4-dimethoxyphenyl)prop-2-ynoate CAS Name: 3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)prop-2-ynoate Traditional Name: 3-(3,4-dimethoxyphenyl)propiolic acid [(E)-3-(1,3-benzodioxol-5-yl)allyl] ester Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O6/c1-23-17-8-5-16(12-19(17)24-2)7-10-21(22)25-11-3-4-15-6-9-18-20(13-15)27-14-26-18/h3-6,8-9,12-13H,11,14H2,1-2H3/b4-3+