ethanedioic acid; 1-[2-(3-methoxy-2-phenethyloxy-phenyl)ethyl]-4-pyridin-2-yl-piperazine

Systemtic Name: ethanedioic acid; 1-[2-(3-methoxy-2-phenethyloxy-phenyl)ethyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[2-(3-methoxy-2-phenethyloxy-phenyl)ethyl]-4-(2-pyridyl)piperazine; oxalic acid CAS Name: 1-[2-(3-methoxy-2-phenethyloxyphenyl)ethyl]-4-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 1-[2-(3-methoxy-2-phenethyloxyphenyl)ethyl]-4-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 1-[2-(3-methoxy-2-phenethyloxy-phenyl)ethyl]-4-(2-pyridyl)piperazine; oxalic acid Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCC2=CC=CC=C2)CCN3CCN(CC3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OCCC2=CC=CC=C2)CCN3CCN(CC3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3O2.C2H2O4/c1-30-24-11-7-10-23(26(24)31-21-14-22-8-3-2-4-9-22)13-16-28-17-19-29(20-18-28)25-12-5-6-15-27-25;3-1(4)2(5)6/h2-12,15H,13-14,16-21H2,1H3;(H,3,4)(H,5,6)