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

Systemtic Name: methyl (2R,3R)-5-bromanyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl (2R,3R)-5-bromo-2-(3,4-dimethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2R,3R)-5-bromo-2-(3,4-dimethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-5-bromo-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2R,3R)-5-bromo-2-(3,4-dimethoxyphenyl)coumaran-3-carboxylic acid methyl ester Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C3=C(O2)C=CC(=C3)Br)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C3=C(O2)C=CC(=C3)Br)C(=O)OC)OC

InChI

InChI=1S/C18H17BrO5/c1-21-14-6-4-10(8-15(14)22-2)17-16(18(20)23-3)12-9-11(19)5-7-13(12)24-17/h4-9,16-17H,1-3H3/t16-,17+/m1/s1