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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-octyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-octyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-octyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-octyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-octyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C26H36FNO4 MolecularWeight: 445.566743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C26H36FNO4/c1-2-3-4-5-6-7-8-19-17-30-26(31-18-19)21-11-9-20(10-12-21)25(29)32-23-14-13-22(16-28)24(27)15-23/h13-15,19-21,26H,2-12,17-18H2,1H3