(2-fluoranyl-4-pentyl-phenyl) 4-butylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FO2/c1-3-5-7-9-18-12-15-21(20(23)16-18)25-22(24)19-13-10-17(11-14-19)8-6-4-2/h10-16H,3-9H2,1-2H3