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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[1-ethyl-3-(2-methoxyethylamino)propoxy]-5-fluoro-benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[1-(2-methoxyethylamino)pentan-3-yloxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[1-ethyl-3-(2-methoxyethylamino)propoxy]-5-fluoro-benzonitrile; oxalic acid Formula: C17H22ClFN2O6 MolecularWeight: 404.817783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNCCOC)OC1=CC(=C(C=C1C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CCNCCOC)OC1=CC(=C(C=C1C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20ClFN2O2.C2H2O4/c1-3-12(4-5-19-6-7-20-2)21-15-9-13(16)14(17)8-11(15)10-18;3-1(4)2(5)6/h8-9,12,19H,3-7H2,1-2H3;(H,3,4)(H,5,6)