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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-ethylbutanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-12(4-2)16(19)20-9-15(18)17-8-11-5-6-13-14(7-11)22-10-21-13/h5-7,12H,3-4,8-10H2,1-2H3,(H,17,18)