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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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