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

Systemtic Name: [(2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxidanylidene-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] ethanoate Openeye Name: [(2S,3R,3aR)-5-allyl-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,3-dihydrobenzofuran-3a-yl] acetate CAS Name: acetic acid [(2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-5-prop-2-enyl-2,3-dihydrobenzofuran-3a-yl] ester IUPAC Name: [(2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-5-prop-2-enyl-2,3-dihydro-1-benzofuran-3a-yl] acetate Traditional Name: acetic acid [(2S,3R,3aR)-5-allyl-2-(3,4-dimethoxyphenyl)-6-keto-3-methyl-2,3-dihydrobenzofuran-3a-yl] ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@@]12OC(=O)C)CC=C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H24O6/c1-6-7-16-12-22(28-14(3)23)13(2)21(27-20(22)11-17(16)24)15-8-9-18(25-4)19(10-15)26-5/h6,8-13,21H,1,7H2,2-5H3/t13-,21+,22-/m1/s1