2-(4-bromanyl-3-fluoranyl-phenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane

Systemtic Name: 2-(4-bromanyl-3-fluoranyl-phenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane Openeye Name: 2-(4-bromo-3-fluoro-phenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane CAS Name: 2-(4-bromo-3-fluorophenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane IUPAC Name: 2-(4-bromo-3-fluorophenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane Traditional Name: 2-(4-bromo-3-fluoro-phenyl)-5-[2-(1-butylcyclohexyl)ethyl]-1,3-dioxane Formula: C22H32BrFO2 MolecularWeight: 427.390683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCC1)CCC2COC(OC2)C3=CC(=C(C=C3)Br)F

Isomeric SMILES

CCCCC1(CCCCC1)CCC2COC(OC2)C3=CC(=C(C=C3)Br)F

InChI

InChI=1S/C22H32BrFO2/c1-2-3-10-22(11-5-4-6-12-22)13-9-17-15-25-21(26-16-17)18-7-8-19(23)20(24)14-18/h7-8,14,17,21H,2-6,9-13,15-16H2,1H3