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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromanylpropanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 2-bromopropanoate CAS Name: 2-bromopropanoic 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-bromopropanoate Traditional Name: 2-bromopropionic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C19H27BrO2 MolecularWeight: 367.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrO2/c1-13-10-11-16(17(12-13)22-18(21)14(2)20)19(3,4)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3/t13-,14?,16-,17-/m1/s1