[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxidanylidene-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] benzoate

Systemtic Name: [(2S,3R)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxidanylidene-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] benzoate Openeye Name: [(2S,3R)-5-allyl-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,3-dihydrobenzofuran-3a-yl] benzoate CAS Name: benzoic acid [(2S,3R)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-5-prop-2-enyl-2,3-dihydrobenzofuran-3a-yl] ester IUPAC Name: [(2S,3R)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] benzoate Traditional Name: benzoic acid [(2S,3R)-5-allyl-2-(3,4-dimethoxyphenyl)-6-keto-3-methyl-2,3-dihydrobenzofuran-3a-yl] ester Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC(=O)C(=CC12OC(=O)C3=CC=CC=C3)CC=C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H]1[C@H](OC2=CC(=O)C(=CC12OC(=O)C3=CC=CC=C3)CC=C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26O6/c1-5-9-20-16-27(33-26(29)18-10-7-6-8-11-18)17(2)25(32-24(27)15-21(20)28)19-12-13-22(30-3)23(14-19)31-4/h5-8,10-17,25H,1,9H2,2-4H3/t17-,25+,27?/m1/s1