[2-fluoranyl-4-(4-pentylphenyl)phenyl] 2-methylbutanoate

Systemtic Name: [2-fluoranyl-4-(4-pentylphenyl)phenyl] 2-methylbutanoate Openeye Name: [2-fluoro-4-(4-pentylphenyl)phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-fluoro-4-(4-pentylphenyl)phenyl] ester IUPAC Name: [2-fluoro-4-(4-pentylphenyl)phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(4-amylphenyl)-2-fluoro-phenyl] ester Formula: C22H27FO2 MolecularWeight: 342.446983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

InChI

InChI=1S/C22H27FO2/c1-4-6-7-8-17-9-11-18(12-10-17)19-13-14-21(20(23)15-19)25-22(24)16(3)5-2/h9-16H,4-8H2,1-3H3