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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(2-fluoranylethylamino)-1-phenyl-propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-5-fluoro-2-[3-(2-fluoroethylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-5-fluoro-2-[3-(2-fluoroethylamino)-1-phenylpropoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-5-fluoro-2-[3-(2-fluoroethylamino)-1-phenylpropoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-5-fluoro-2-[3-(2-fluoroethylamino)-1-phenyl-propoxy]benzonitrile; oxalic acid Formula: C20H19ClF2N2O5 MolecularWeight: 440.825066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF2N2O.C2H2O4/c19-15-11-18(14(12-22)10-16(15)21)24-17(6-8-23-9-7-20)13-4-2-1-3-5-13;3-1(4)2(5)6/h1-5,10-11,17,23H,6-9H2;(H,3,4)(H,5,6)