(1-cyano-2-methyl-propyl) 2,3-bis(fluoranyl)-4-(2-fluoranyl-4-heptoxy-phenyl)benzoate

Systemtic Name: (1-cyano-2-methyl-propyl) 2,3-bis(fluoranyl)-4-(2-fluoranyl-4-heptoxy-phenyl)benzoate Openeye Name: (1-cyano-2-methyl-propyl) 2,3-difluoro-4-(2-fluoro-4-heptoxy-phenyl)benzoate CAS Name: 2,3-difluoro-4-(2-fluoro-4-heptoxyphenyl)benzoic acid (1-cyano-2-methylpropyl) ester IUPAC Name: (1-cyano-2-methylpropyl) 2,3-difluoro-4-(2-fluoro-4-heptoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(2-fluoro-4-heptoxy-phenyl)benzoic acid (1-cyano-2-methyl-propyl) ester Formula: C25H28F3NO3 MolecularWeight: 447.48993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC(C#N)C(C)C)F)F)F

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC(C#N)C(C)C)F)F)F

InChI

InChI=1S/C25H28F3NO3/c1-4-5-6-7-8-13-31-17-9-10-18(21(26)14-17)19-11-12-20(24(28)23(19)27)25(30)32-22(15-29)16(2)3/h9-12,14,16,22H,4-8,13H2,1-3H3