ethanedioic acid; (3-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-[4-(4-pyridylmethyl)piperazino]methanone; oxalic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O2.C2H2O4/c1-23-17-4-2-3-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-7-19-8-6-15;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)