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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-heptyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-heptyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-heptyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-heptyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-heptyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H34FNO4 MolecularWeight: 431.540163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H34FNO4/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/h12-14,18-20,25H,2-11,16-17H2,1H3