[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-14(16-5-3-2-4-6-16)9-20(23)24-12-19(22)21-11-15-7-8-17-18(10-15)26-13-25-17/h2-8,10,14H,9,11-13H2,1H3,(H,21,22)