(4-fluorophenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate

Systemtic Name: (4-fluorophenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Openeye Name: (4-fluorophenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-pentylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 4-[2-(4-pentylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-amylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester Formula: C26H23FO2 MolecularWeight: 386.458023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C26H23FO2/c1-2-3-4-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)26(28)29-25-18-16-24(27)17-19-25/h6-9,12-19H,2-5H2,1H3