(4-cyano-3-fluoranyl-phenyl) 5-heptylpyridine-2-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 5-heptylpyridine-2-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 5-heptylpyridine-2-carboxylate CAS Name: 5-heptyl-2-pyridinecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 5-heptylpyridine-2-carboxylate Traditional Name: 5-heptylpicolinic acid (4-cyano-3-fluoro-phenyl) ester Formula: C20H21FN2O2 MolecularWeight: 340.391343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C20H21FN2O2/c1-2-3-4-5-6-7-15-8-11-19(23-14-15)20(24)25-17-10-9-16(13-22)18(21)12-17/h8-12,14H,2-7H2,1H3