[(2R,3S,6S)-2,6-dimethyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2-bromanylethanoate

Systemtic Name: [(2R,3S,6S)-2,6-dimethyl-7-oxidanylidene-1-phenylmethoxy-heptan-3-yl] 2-bromanylethanoate Openeye Name: [(1S,4S)-1-[(1R)-2-benzyloxy-1-methyl-ethyl]-4-methyl-5-oxo-pentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(2R,3S,6S)-2,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(2R,3S,6S)-2,6-dimethyl-7-oxo-1-phenylmethoxyheptan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1S,4S)-1-[(1R)-2-benzoxy-1-methyl-ethyl]-5-keto-4-methyl-pentyl] ester Formula: C18H25BrO4 MolecularWeight: 385.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)COCC1=CC=CC=C1)OC(=O)CBr)C=O

Isomeric SMILES

C[C@@H](CC[C@@H]([C@H](C)COCC1=CC=CC=C1)OC(=O)CBr)C=O

InChI

InChI=1S/C18H25BrO4/c1-14(11-20)8-9-17(23-18(21)10-19)15(2)12-22-13-16-6-4-3-5-7-16/h3-7,11,14-15,17H,8-10,12-13H2,1-2H3/t14-,15+,17-/m0/s1