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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21NO5/c1-12(16(19)18-8-4-2-3-5-9-18)23-17(20)13-6-7-14-15(10-13)22-11-21-14/h6-7,10,12H,2-5,8-9,11H2,1H3