ethanedioic acid; 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: oxalic acid; 1-(4-pyridylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine CAS Name: oxalic acid; 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: oxalic acid; 1-(pyridin-4-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine Traditional Name: oxalic acid; 1-(4-pyridylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazine Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O3.C2H2O4/c1-24-18-12-17(13-19(25-2)20(18)26-3)15-23-10-8-22(9-11-23)14-16-4-6-21-7-5-16;3-1(4)2(5)6/h4-7,12-13H,8-11,14-15H2,1-3H3;(H,3,4)(H,5,6)