[4-(bromomethyl)cyclohexyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: [4-(bromomethyl)cyclohexyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [4-(bromomethyl)cyclohexyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-pentyl-4-bicyclo[2.2.2]octanecarboxylic acid [4-(bromomethyl)cyclohexyl] ester IUPAC Name: [4-(bromomethyl)cyclohexyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-amylbicyclo[2.2.2]octane-4-carboxylic acid [4-(bromomethyl)cyclohexyl] ester Formula: C21H35BrO2 MolecularWeight: 399.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C(=O)OC3CCC(CC3)CBr

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C(=O)OC3CCC(CC3)CBr

InChI

InChI=1S/C21H35BrO2/c1-2-3-4-9-20-10-13-21(14-11-20,15-12-20)19(23)24-18-7-5-17(16-22)6-8-18/h17-18H,2-16H2,1H3