methyl (2S,3R)-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl (2S,3R)-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl (2S,3R)-2-(4-benzyloxyphenyl)-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2S,3R)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-(4-phenylmethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2S,3R)-2-(4-benzoxyphenyl)-5-[(E)-3-keto-3-methoxy-prop-1-enyl]coumaran-3-carboxylic acid methyl ester Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=CC2=C(C=C1)O[C@@H]([C@@H]2C(=O)OC)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O6/c1-30-24(28)15-9-18-8-14-23-22(16-18)25(27(29)31-2)26(33-23)20-10-12-21(13-11-20)32-17-19-6-4-3-5-7-19/h3-16,25-26H,17H2,1-2H3/b15-9+/t25-,26-/m1/s1