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

Systemtic Name: (4-cyanophenyl) 3-fluoranyl-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Openeye Name: (4-cyanophenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate CAS Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoate Traditional Name: 3-fluoro-4-(5-heptyl-1,3-dioxan-2-yl)benzoic acid (4-cyanophenyl) ester Formula: C25H28FNO4 MolecularWeight: 425.492523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C25H28FNO4/c1-2-3-4-5-6-7-19-16-29-25(30-17-19)22-13-10-20(14-23(22)26)24(28)31-21-11-8-18(15-27)9-12-21/h8-14,19,25H,2-7,16-17H2,1H3