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

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-(heptoxymethyl)benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-(heptoxymethyl)benzoate CAS Name: 3-fluoro-4-(heptoxymethyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-(heptoxymethyl)benzoate Traditional Name: 3-fluoro-4-(heptoxymethyl)benzoic acid (4-cyanophenyl) ester Formula: C22H24FNO3 MolecularWeight: 369.429263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

Isomeric SMILES

CCCCCCCOCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C22H24FNO3/c1-2-3-4-5-6-13-26-16-19-10-9-18(14-21(19)23)22(25)27-20-11-7-17(15-24)8-12-20/h7-12,14H,2-6,13,16H2,1H3