(4-cyano-3-fluoranyl-phenyl) 4-heptylbenzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-heptylbenzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C21H22FNO2 MolecularWeight: 339.403283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21(24)25-19-13-12-18(15-23)20(22)14-19/h8-14H,2-7H2,1H3