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

Systemtic Name: dimethyl 5-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-benzylpiperazino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-30-22(28)18-12-19(23(29)31-2)14-20(13-18)24-21(27)16-26-10-8-25(9-11-26)15-17-6-4-3-5-7-17/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,24,27)