tert-butyl 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(piperonyloylamino)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O6/c1-19(2,3)28-18(25)22-8-6-21(7-9-22)16(23)11-20-17(24)13-4-5-14-15(10-13)27-12-26-14/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,24)