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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C23H30FNO4 MolecularWeight: 403.487003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H30FNO4/c1-2-3-4-5-16-14-27-23(28-15-16)18-8-6-17(7-9-18)22(26)29-20-11-10-19(13-25)21(24)12-20/h10-12,16-18,23H,2-9,14-15H2,1H3