(4-cyanophenyl) 3-fluoranyl-4-(hexoxymethyl)benzoate

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-(hexoxymethyl)benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-(hexoxymethyl)benzoate CAS Name: 3-fluoro-4-(hexoxymethyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-(hexoxymethyl)benzoate Traditional Name: 3-fluoro-4-(hexoxymethyl)benzoic acid (4-cyanophenyl) ester Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

Isomeric SMILES

CCCCCCOCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C21H22FNO3/c1-2-3-4-5-12-25-15-18-9-8-17(13-20(18)22)21(24)26-19-10-6-16(14-23)7-11-19/h6-11,13H,2-5,12,15H2,1H3