[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H21NO7/c1-25-16-7-14(8-17(10-16)26-2)4-6-21(24)27-12-20(23)22-11-15-3-5-18-19(9-15)29-13-28-18/h3-10H,11-13H2,1-2H3,(H,22,23)/b6-4+