4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]benzoic acid

Systemtic Name: 4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranyloct-1-enyl]phenyl]benzoic acid Openeye Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoic acid CAS Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoic acid IUPAC Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoic acid Traditional Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorooct-1-enyl]phenyl]benzoic acid Formula: C22H21F2NO2 MolecularWeight: 369.404446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)O)F

Isomeric SMILES

CCCCCC/C(=C\C1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)O)/F

InChI

InChI=1S/C22H21F2NO2/c1-2-3-4-5-6-18(23)13-15-7-9-16(10-8-15)20-19(22(26)27)12-11-17(14-25)21(20)24/h7-13H,2-6H2,1H3,(H,26,27)/b18-13+