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

Systemtic Name: butan-2-yl 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: sec-butyl 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-(homopiperonylamino)-2-keto-ethyl]piperazine-1-carboxylic acid sec-butyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N1CCNC(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)OC(=O)N1CCNC(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H29N3O5/c1-3-14(2)28-20(25)23-9-8-21-16(12-23)11-19(24)22-7-6-15-4-5-17-18(10-15)27-13-26-17/h4-5,10,14,16,21H,3,6-9,11-13H2,1-2H3,(H,22,24)