butyl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: butyl 4-(2-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: butyl 4-(2-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-pentylphenyl)benzoic acid butyl ester IUPAC Name: butyl 4-(2-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-2-fluoro-phenyl)benzoic acid butyl ester Formula: C22H27FO2 MolecularWeight: 342.446983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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