methyl (2S,3S,6S)-2-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate

Systemtic Name: methyl (2S,3S,6S)-2-(3-bromanyl-5-phenylmethoxy-phenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate Openeye Name: methyl (2S,3S,6S)-2-(3-benzyloxy-5-bromo-phenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate CAS Name: (2S,3S,6S)-2-(3-bromo-5-phenylmethoxyphenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S,6S)-2-(3-bromo-5-phenylmethoxyphenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate Traditional Name: (2S,3S,6S)-2-(3-benzoxy-5-bromo-phenyl)-3-methyl-3,6-dihydro-2H-pyran-6-carboxylic acid methyl ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(OC1C2=CC(=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO4/c1-14-8-9-19(21(23)24-2)26-20(14)16-10-17(22)12-18(11-16)25-13-15-6-4-3-5-7-15/h3-12,14,19-20H,13H2,1-2H3/t14-,19-,20-/m0/s1