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

Systemtic Name: 4-chloranyl-2-[4-(methylamino)-1-pyridin-2-yl-butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[4-(methylamino)-1-(2-pyridyl)butoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[4-(methylamino)-1-(2-pyridinyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[4-(methylamino)-1-pyridin-2-ylbutoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[4-(methylamino)-1-(2-pyridyl)butoxy]benzonitrile; oxalic acid Formula: C19H20ClN3O5 MolecularWeight: 405.8322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCCC(C1=CC=CC=N1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC(C1=CC=CC=N1)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClN3O.C2H2O4/c1-20-9-4-6-16(15-5-2-3-10-21-15)22-17-11-14(18)8-7-13(17)12-19;3-1(4)2(5)6/h2-3,5,7-8,10-11,16,20H,4,6,9H2,1H3;(H,3,4)(H,5,6)