(4-cyano-3-fluoranyl-phenyl) 4-(5-hexyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-hexyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-hexyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-hexyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-hexyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-hexyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C24H32FNO4 MolecularWeight: 417.513583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C24H32FNO4/c1-2-3-4-5-6-17-15-28-24(29-16-17)19-9-7-18(8-10-19)23(27)30-21-12-11-20(14-26)22(25)13-21/h11-13,17-19,24H,2-10,15-16H2,1H3