(4-cyanophenyl) 3-fluoranyl-4-[2-(4-propylphenyl)ethynyl]benzoate

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-[2-(4-propylphenyl)ethynyl]benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-[2-(4-propylphenyl)ethynyl]benzoate CAS Name: 3-fluoro-4-[2-(4-propylphenyl)ethynyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-[2-(4-propylphenyl)ethynyl]benzoate Traditional Name: 3-fluoro-4-[2-(4-propylphenyl)ethynyl]benzoic acid (4-cyanophenyl) ester Formula: C25H18FNO2 MolecularWeight: 383.414323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C25H18FNO2/c1-2-3-18-4-6-19(7-5-18)8-11-21-12-13-22(16-24(21)26)25(28)29-23-14-9-20(17-27)10-15-23/h4-7,9-10,12-16H,2-3H2,1H3