tert-butyl 4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C(=O)OC(C)(C)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCN(CC3)C(=O)OC(C)(C)C)OCO2

InChI

InChI=1S/C20H27N3O6/c1-13(24)14-9-16-17(28-12-27-16)10-15(14)21-18(25)11-22-5-7-23(8-6-22)19(26)29-20(2,3)4/h9-10H,5-8,11-12H2,1-4H3,(H,21,25)