(2R,3R)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid

Systemtic Name: (2R,3R)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-benzyloxyphenyl)-5-bromo-2,3-dihydrobenzofuran-3-carboxylic acid CAS Name: (2R,3R)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylic acid IUPAC Name: (2R,3R)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-benzoxyphenyl)-5-bromo-coumaran-3-carboxylic acid Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(C4=C(O3)C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H]3[C@@H](C4=C(O3)C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C22H17BrO4/c23-16-8-11-19-18(12-16)20(22(24)25)21(27-19)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12,20-21H,13H2,(H,24,25)/t20-,21+/m1/s1