[4-[4-(4-bromanyl-3-fluoranyl-phenyl)cyclohexyl]cyclohexyl] but-3-enoate

Systemtic Name: [4-[4-(4-bromanyl-3-fluoranyl-phenyl)cyclohexyl]cyclohexyl] but-3-enoate Openeye Name: [4-[4-(4-bromo-3-fluoro-phenyl)cyclohexyl]cyclohexyl] but-3-enoate CAS Name: 3-butenoic acid [4-[4-(4-bromo-3-fluorophenyl)cyclohexyl]cyclohexyl] ester IUPAC Name: [4-[4-(4-bromo-3-fluorophenyl)cyclohexyl]cyclohexyl] but-3-enoate Traditional Name: but-3-enoic acid [4-[4-(4-bromo-3-fluoro-phenyl)cyclohexyl]cyclohexyl] ester Formula: C22H28BrFO2 MolecularWeight: 423.358923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)OC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)Br)F

Isomeric SMILES

C=CCC(=O)OC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)Br)F

InChI

InChI=1S/C22H28BrFO2/c1-2-3-22(25)26-19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h2,10,13-17,19H,1,3-9,11-12H2