methyl (1S,2R,3R)-2-(2-bromoethyl)-3-(2,2-dimethylpropanoyloxy)-1-methyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R)-2-(2-bromoethyl)-3-(2,2-dimethylpropanoyloxy)-1-methyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R)-2-(2-bromoethyl)-3-(2,2-dimethylpropanoyloxy)-1-methyl-cyclohexanecarboxylate CAS Name: (1S,2R,3R)-2-(2-bromoethyl)-3-(2,2-dimethyl-1-oxopropoxy)-1-methyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R)-2-(2-bromoethyl)-3-(2,2-dimethylpropanoyloxy)-1-methylcyclohexane-1-carboxylate Traditional Name: (1S,2R,3R)-2-(2-bromoethyl)-1-methyl-3-pivaloyloxy-cyclohexanecarboxylic acid methyl ester Formula: C16H27BrO4 MolecularWeight: 363.28718

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCBr)OC(=O)C(C)(C)C)C(=O)OC

Isomeric SMILES

C[C@@]1(CCC[C@H]([C@@H]1CCBr)OC(=O)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C16H27BrO4/c1-15(2,3)13(18)21-12-7-6-9-16(4,14(19)20-5)11(12)8-10-17/h11-12H,6-10H2,1-5H3/t11-,12+,16-/m0/s1