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

Systemtic Name: (4-fluorophenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Openeye Name: (4-fluorophenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 4-[2-(4-butylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-butylphenyl)ethynyl]benzoic acid (4-fluorophenyl) ester Formula: C25H21FO2 MolecularWeight: 372.431443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

InChI

InChI=1S/C25H21FO2/c1-2-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)25(27)28-24-17-15-23(26)16-18-24/h5-8,11-18H,2-4H2,1H3