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

Systemtic Name: dimethyl 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(3-chlorophenyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H24ClN3O5/c1-30-21(28)15-10-16(22(29)31-2)12-18(11-15)24-20(27)14-25-6-8-26(9-7-25)19-5-3-4-17(23)13-19/h3-5,10-13H,6-9,14H2,1-2H3,(H,24,27)