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

Systemtic Name: ethanedioic acid; 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[2-(4-methoxy-3-phenethyloxy-phenyl)ethyl]-4-(2-pyridyl)piperazine; oxalic acid CAS Name: 1-[2-(4-methoxy-3-phenethyloxyphenyl)ethyl]-4-(2-pyridinyl)piperazine; oxalic acid IUPAC Name: 1-[2-(4-methoxy-3-phenethyloxyphenyl)ethyl]-4-pyridin-2-ylpiperazine; oxalic acid Traditional Name: 1-[2-(4-methoxy-3-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=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=N3)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=N3)OCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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