ethanedioic acid; 2-[4-(2-hydroxyethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[4-(2-hydroxyethylamino)-1-pyridin-4-yl-butoxy]benzenecarbonitrile Openeye Name: 2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile; oxalic acid CAS Name: 2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile; oxalic acid IUPAC Name: 2-[4-(2-hydroxyethylamino)-1-pyridin-4-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 2-[4-(2-hydroxyethylamino)-1-(4-pyridyl)butoxy]benzonitrile; oxalic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2.C2H2O4/c19-14-16-4-1-2-5-18(16)23-17(6-3-9-20-12-13-22)15-7-10-21-11-8-15;3-1(4)2(5)6/h1-2,4-5,7-8,10-11,17,20,22H,3,6,9,12-13H2;(H,3,4)(H,5,6)