(4-cyanophenyl) 2-fluoranyl-4-heptyl-benzoate

Systemtic Name: (4-cyanophenyl) 2-fluoranyl-4-heptyl-benzoate Openeye Name: (4-cyanophenyl) 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid (4-cyanophenyl) ester Formula: C21H22FNO2 MolecularWeight: 339.403283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C21H22FNO2/c1-2-3-4-5-6-7-16-10-13-19(20(22)14-16)21(24)25-18-11-8-17(15-23)9-12-18/h8-14H,2-7H2,1H3