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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-decyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-decyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-decyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-decyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-decyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C28H40FNO4 MolecularWeight: 473.619903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C28H40FNO4/c1-2-3-4-5-6-7-8-9-10-21-19-32-28(33-20-21)23-13-11-22(12-14-23)27(31)34-25-16-15-24(18-30)26(29)17-25/h15-17,21-23,28H,2-14,19-20H2,1H3