(4-cyanophenyl) 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C26H30FNO4 MolecularWeight: 439.519103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C26H30FNO4/c1-2-3-4-5-6-7-8-20-17-30-26(31-18-20)23-14-11-21(15-24(23)27)25(29)32-22-12-9-19(16-28)10-13-22/h9-15,20,26H,2-8,17-18H2,1H3