4-chloranyl-5-fluoranyl-2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(2-methoxyethylamino)-1-phenylpropoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(2-methoxyethylamino)-1-phenylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(2-methoxyethylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid Formula: C21H22ClFN2O6 MolecularWeight: 452.860583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COCCNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20ClFN2O2.C2H2O4/c1-24-10-9-23-8-7-18(14-5-3-2-4-6-14)25-19-12-16(20)17(21)11-15(19)13-22;3-1(4)2(5)6/h2-6,11-12,18,23H,7-10H2,1H3;(H,3,4)(H,5,6)