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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(5-butyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(5-butyl-1,3-dioxan-2-yl)cyclohexanecarboxylate CAS Name: 4-(5-butyl-1,3-dioxan-2-yl)-1-cyclohexanecarboxylic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(5-butyl-1,3-dioxan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-butyl-1,3-dioxan-2-yl)cyclohexanecarboxylic acid (4-cyano-3-fluoro-phenyl) ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1COC(OC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C22H28FNO4/c1-2-3-4-15-13-26-22(27-14-15)17-7-5-16(6-8-17)21(25)28-19-10-9-18(12-24)20(23)11-19/h9-11,15-17,22H,2-8,13-14H2,1H3