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

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-m-anisyl-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O.C2H2O4/c1-22-18-4-2-3-17(13-18)15-21-11-9-20(10-12-21)14-16-5-7-19-8-6-16;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)