ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2.C2H2O4/c1-3-25-20-14-18(4-5-19(20)24-2)16-23-12-10-22(11-13-23)15-17-6-8-21-9-7-17;3-1(4)2(5)6/h4-9,14H,3,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)