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

Systemtic Name: [(2R,3S,6S)-2,6-dimethyl-7-(oxan-2-yloxy)-1-phenylmethoxy-heptan-3-yl] 2-bromanylethanoate Openeye Name: [(1S,4S)-1-[(1R)-2-benzyloxy-1-methyl-ethyl]-4-methyl-5-tetrahydropyran-2-yloxy-pentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(2R,3S,6S)-2,6-dimethyl-7-(2-oxanyloxy)-1-phenylmethoxyheptan-3-yl] ester IUPAC Name: [(2R,3S,6S)-2,6-dimethyl-7-(oxan-2-yloxy)-1-phenylmethoxyheptan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1S,4S)-1-[(1R)-2-benzoxy-1-methyl-ethyl]-4-methyl-5-tetrahydropyran-2-yloxy-pentyl] ester Formula: C23H35BrO5 MolecularWeight: 471.425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)COCC1=CC=CC=C1)OC(=O)CBr)COC2CCCCO2

Isomeric SMILES

C[C@@H](CC[C@@H]([C@H](C)COCC1=CC=CC=C1)OC(=O)CBr)COC2CCCCO2

InChI

InChI=1S/C23H35BrO5/c1-18(15-28-23-10-6-7-13-27-23)11-12-21(29-22(25)14-24)19(2)16-26-17-20-8-4-3-5-9-20/h3-5,8-9,18-19,21,23H,6-7,10-17H2,1-2H3/t18-,19+,21-,23?/m0/s1