methyl (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxidanylidene-propyl)-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxidanylidene-propyl)-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxo-propyl)-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2R,3R)-2-(4-hydroxyphenyl)-5-(3-keto-3-methoxy-propyl)coumaran-3-carboxylic acid methyl ester Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)CCC1=CC2=C(C=C1)O[C@H]([C@@H]2C(=O)OC)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H20O6/c1-24-17(22)10-4-12-3-9-16-15(11-12)18(20(23)25-2)19(26-16)13-5-7-14(21)8-6-13/h3,5-9,11,18-19,21H,4,10H2,1-2H3/t18-,19+/m1/s1