ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Traditional Name: oxalic acid; 1-(3-phenoxybenzyl)-4-(4-pyridylmethyl)piperazine Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O.C2H2O4/c1-2-6-22(7-3-1)27-23-8-4-5-21(17-23)19-26-15-13-25(14-16-26)18-20-9-11-24-12-10-20;3-1(4)2(5)6/h1-12,17H,13-16,18-19H2;(H,3,4)(H,5,6)