ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(4-piperonylpiperazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5/c1-2-28-21(26)17-5-3-4-6-18(17)23-22(27)25-11-9-24(10-12-25)14-16-7-8-19-20(13-16)30-15-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,27)