[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H21NO7/c1-24-15-7-13(8-16(10-15)25-2)3-6-20(23)26-11-19(22)21-14-4-5-17-18(9-14)28-12-27-17/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,21,22)