methyl (2S,3R)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (2S,3R)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl (2S,3R)-2-(4-benzyloxyphenyl)-5-bromo-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2S,3R)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2S,3R)-2-(4-benzoxyphenyl)-5-bromo-coumaran-3-carboxylic acid methyl ester Formula: C23H19BrO4 MolecularWeight: 439.29856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1[C@H](OC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19BrO4/c1-26-23(25)21-19-13-17(24)9-12-20(19)28-22(21)16-7-10-18(11-8-16)27-14-15-5-3-2-4-6-15/h2-13,21-22H,14H2,1H3/t21-,22-/m1/s1