2-fluoranyl-4-[2-(4-pentylphenyl)butyl]benzoate

Systemtic Name: 2-fluoranyl-4-[2-(4-pentylphenyl)butyl]benzoate Openeye Name: 2-fluoro-4-[2-(4-pentylphenyl)butyl]benzoate CAS Name: 2-fluoro-4-[2-(4-pentylphenyl)butyl]benzoate IUPAC Name: 2-fluoro-4-[2-(4-pentylphenyl)butyl]benzoate Traditional Name: 4-[2-(4-amylphenyl)butyl]-2-fluoro-benzoate Formula: C22H26FO2- MolecularWeight: 341.439043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(CC)CC2=CC(=C(C=C2)C(=O)[O-])F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(CC)CC2=CC(=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C22H27FO2/c1-3-5-6-7-16-8-11-19(12-9-16)18(4-2)14-17-10-13-20(22(24)25)21(23)15-17/h8-13,15,18H,3-7,14H2,1-2H3,(H,24,25)/p-1