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

Systemtic Name: ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-ethoxybenzyl)-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3O.C2H2O4/c1-2-23-19-5-3-17(4-6-19)15-21-11-13-22(14-12-21)16-18-7-9-20-10-8-18;3-1(4)2(5)6/h3-10H,2,11-16H2,1H3;(H,3,4)(H,5,6)