3-(4-cyano-3-fluoranyl-phenyl)-2-(4-pentylphenyl)benzoate

Systemtic Name: 3-(4-cyano-3-fluoranyl-phenyl)-2-(4-pentylphenyl)benzoate Openeye Name: 3-(4-cyano-3-fluoro-phenyl)-2-(4-pentylphenyl)benzoate CAS Name: 3-(4-cyano-3-fluorophenyl)-2-(4-pentylphenyl)benzoate IUPAC Name: 3-(4-cyano-3-fluorophenyl)-2-(4-pentylphenyl)benzoate Traditional Name: 2-(4-amylphenyl)-3-(4-cyano-3-fluoro-phenyl)benzoate Formula: C25H21FNO2- MolecularWeight: 386.438143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)[O-])C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)[O-])C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H22FNO2/c1-2-3-4-6-17-9-11-18(12-10-17)24-21(7-5-8-22(24)25(28)29)19-13-14-20(16-27)23(26)15-19/h5,7-15H,2-4,6H2,1H3,(H,28,29)/p-1