[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)acrylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O7/c1-3-10-26-18-7-4-15(11-20(18)25-2)5-9-22(24)27-13-17(23)16-6-8-19-21(12-16)29-14-28-19/h3-9,11-12H,1,10,13-14H2,2H3/b9-5+