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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O2.C2H2O4/c20-16-12-19(15(13-22)11-17(16)21)25-18(7-9-23-8-4-10-24)14-5-2-1-3-6-14;3-1(4)2(5)6/h1-3,5-6,11-12,18,23-24H,4,7-10H2;(H,3,4)(H,5,6)