2,6-dimethoxy-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(3-pyridylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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