[1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-phenylpropylamino)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-oxo-1-(2-phenylpropylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylpropylamino)propan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-1-methyl-2-(2-phenylpropylamino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C(C)OC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-13(15-6-4-3-5-7-15)11-21-19(22)14(2)26-20(23)16-8-9-17-18(10-16)25-12-24-17/h3-10,13-14H,11-12H2,1-2H3,(H,21,22)