dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-piperonylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C23H25N3O7/c1-30-21(27)16-10-17(22(28)31-2)12-18(11-16)24-23(29)26-7-5-25(6-8-26)13-15-3-4-19-20(9-15)33-14-32-19/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,24,29)