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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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