[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(2-bromanyl-2-oxidanylidene-ethyl)heptanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(2-bromanyl-2-oxidanylidene-ethyl)heptanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-(2-bromo-2-oxo-ethyl)heptanoate CAS Name: (2S)-2-(2-bromo-2-oxoethyl)heptanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-bromo-2-oxoethyl)heptanoate Traditional Name: (2S)-2-(2-bromo-2-keto-ethyl)enanthic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H33BrO3 MolecularWeight: 389.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)Br)C(=O)OC1CC(CCC1C(C)C)C

Isomeric SMILES

CCCCC[C@@H](CC(=O)Br)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C

InChI

InChI=1S/C19H33BrO3/c1-5-6-7-8-15(12-18(20)21)19(22)23-17-11-14(4)9-10-16(17)13(2)3/h13-17H,5-12H2,1-4H3/t14-,15+,16+,17-/m1/s1