butan-2-yl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: butan-2-yl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: sec-butyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid sec-butyl ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)OC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O5/c1-3-13(2)27-19(24)22-7-6-20-15(11-22)9-18(23)21-10-14-4-5-16-17(8-14)26-12-25-16/h4-5,8,13,15,20H,3,6-7,9-12H2,1-2H3,(H,21,23)