ethanedioic acid; 2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: oxalic acid; 2-phenoxy-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: oxalic acid; 2-phenoxy-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: oxalic acid; 2-phenoxy-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: oxalic acid; 2-phenoxy-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21N3O2.C2H2O4/c22-18(15-23-17-4-2-1-3-5-17)21-12-10-20(11-13-21)14-16-6-8-19-9-7-16;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)