dimethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-piperonylpiperazino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H27N3O7/c1-31-23(29)17-4-5-18(24(30)32-2)19(12-17)25-22(28)14-27-9-7-26(8-10-27)13-16-3-6-20-21(11-16)34-15-33-20/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,25,28)