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

Systemtic Name: dimethyl 5-[4-(phenylmethyl)piperazin-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-benzylpiperazin-1-yl)benzene-1,3-dicarboxylate CAS Name: 5-[4-(phenylmethyl)-1-piperazinyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-benzylpiperazin-1-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(4-benzylpiperazino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-26-20(24)17-12-18(21(25)27-2)14-19(13-17)23-10-8-22(9-11-23)15-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3