[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromanylethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromanylethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C18H25BrO2 MolecularWeight: 353.2939

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CBr)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CBr)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H25BrO2/c1-13-9-10-15(16(11-13)21-17(20)12-19)18(2,3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t13-,15-,16-/m1/s1