2,6-dimethoxy-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[(4-benzylpiperazino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3.C2H2O4/c1-24-18-12-17(13-19(25-2)20(18)23)15-22-10-8-21(9-11-22)14-16-6-4-3-5-7-16;3-1(4)2(5)6/h3-7,12-13,23H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)