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

Systemtic Name: (phenylmethyl) 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5/c27-22(25-9-8-17-6-7-20-21(12-17)31-16-30-20)13-19-14-26(11-10-24-19)23(28)29-15-18-4-2-1-3-5-18/h1-7,12,19,24H,8-11,13-16H2,(H,25,27)