ethanedioic acid; 2-[2-(2-pyridin-4-ylethylamino)ethoxy]benzenecarbonitrile; hydrate

Systemtic Name: ethanedioic acid; 2-[2-(2-pyridin-4-ylethylamino)ethoxy]benzenecarbonitrile; hydrate Openeye Name: oxalic acid; 2-[2-[2-(4-pyridyl)ethylamino]ethoxy]benzonitrile; hydrate CAS Name: oxalic acid; 2-[2-(2-pyridin-4-ylethylamino)ethoxy]benzonitrile; hydrate IUPAC Name: oxalic acid; 2-[2-(2-pyridin-4-ylethylamino)ethoxy]benzonitrile; hydrate Traditional Name: oxalic acid; 2-[2-[2-(4-pyridyl)ethylamino]ethoxy]benzonitrile; hydrate Formula: C20H23N3O10 MolecularWeight: 465.41072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCNCCC2=CC=NC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCNCCC2=CC=NC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C16H17N3O.2C2H2O4.H2O/c17-13-15-3-1-2-4-16(15)20-12-11-19-10-7-14-5-8-18-9-6-14;2*3-1(4)2(5)6;/h1-6,8-9,19H,7,10-12H2;2*(H,3,4)(H,5,6);1H2