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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 3-(4-pentylphenyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 3-(4-pentylphenyl)benzoate CAS Name: 3-(4-pentylphenyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 3-(4-pentylphenyl)benzoate Traditional Name: 3-(4-amylphenyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H22FNO2 MolecularWeight: 387.446083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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