[(2R,3S)-2-(4-acetyloxy-3-methoxy-phenyl)-5-bromanyl-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl ethanoate

Systemtic Name: [(2R,3S)-2-(4-acetyloxy-3-methoxy-phenyl)-5-bromanyl-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl ethanoate Openeye Name: [(2R,3S)-2-(4-acetoxy-3-methoxy-phenyl)-5-bromo-7-methoxy-2,3-dihydrobenzofuran-3-yl]methyl acetate CAS Name: acetic acid [(2R,3S)-2-(4-acetyloxy-3-methoxyphenyl)-5-bromo-7-methoxy-2,3-dihydrobenzofuran-3-yl]methyl ester IUPAC Name: [(2R,3S)-2-(4-acetyloxy-3-methoxyphenyl)-5-bromo-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl acetate Traditional Name: acetic acid [(2R,3S)-2-(4-acetoxy-3-methoxy-phenyl)-5-bromo-7-methoxy-coumaran-3-yl]methyl ester Formula: C21H21BrO7 MolecularWeight: 465.29124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(OC2=C(C=C(C=C12)Br)OC)C3=CC(=C(C=C3)OC(=O)C)OC

Isomeric SMILES

CC(=O)OC[C@H]1[C@@H](OC2=C(C=C(C=C12)Br)OC)C3=CC(=C(C=C3)OC(=O)C)OC

InChI

InChI=1S/C21H21BrO7/c1-11(23)27-10-16-15-8-14(22)9-19(26-4)21(15)29-20(16)13-5-6-17(28-12(2)24)18(7-13)25-3/h5-9,16,20H,10H2,1-4H3/t16-,20+/m1/s1