ethanedioic acid; 2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]benzonitrile; oxalic acid CAS Name: 2-[2-[2-(4-ethyl-1-piperazinyl)ethoxy]ethoxy]benzonitrile; oxalic acid IUPAC Name: 2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]benzonitrile; oxalic acid Traditional Name: 2-[2-[2-(4-ethylpiperazino)ethoxy]ethoxy]benzonitrile; oxalic acid Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCOCCOC2=CC=CC=C2C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCOCCOC2=CC=CC=C2C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25N3O2.C2H2O4/c1-2-19-7-9-20(10-8-19)11-12-21-13-14-22-17-6-4-3-5-16(17)15-18;3-1(4)2(5)6/h3-6H,2,7-14H2,1H3;(H,3,4)(H,5,6)