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

Systemtic Name: 2,6-dimethoxy-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(2-pyridylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O3.C2H2O4/c1-24-17-11-15(12-18(25-2)19(17)23)13-21-7-9-22(10-8-21)14-16-5-3-4-6-20-16;3-1(4)2(5)6/h3-6,11-12,23H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)