methyl (2S,3S,5S,6S)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methoxy-5-methyl-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,5S,6S)-6-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methoxy-5-methyl-oxane-2-carboxylate Openeye Name: methyl (2S,3S,5S,6S)-6-(3-benzyloxy-5-bromo-phenyl)-3-methoxy-5-methyl-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,5S,6S)-6-(3-bromo-5-phenylmethoxyphenyl)-3-methoxy-5-methyl-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5S,6S)-6-(3-bromo-5-phenylmethoxyphenyl)-3-methoxy-5-methyloxane-2-carboxylate Traditional Name: (2S,3S,5S,6S)-6-(3-benzoxy-5-bromo-phenyl)-3-methoxy-5-methyl-tetrahydropyran-2-carboxylic acid methyl ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(OC1C2=CC(=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](O[C@@H]1C2=CC(=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C22H25BrO5/c1-14-9-19(25-2)21(22(24)26-3)28-20(14)16-10-17(23)12-18(11-16)27-13-15-7-5-4-6-8-15/h4-8,10-12,14,19-21H,9,13H2,1-3H3/t14-,19-,20-,21-/m0/s1