ethyl (2S)-2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate

Systemtic Name: ethyl (2S)-2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate Openeye Name: ethyl (2S)-2-[2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxypropanoate CAS Name: (2S)-2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate Traditional Name: (2S)-2-(3-keto-2-veratrylidene-coumaran-6-yl)oxypropionic acid ethyl ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2

InChI

InChI=1S/C22H22O7/c1-5-27-22(24)13(2)28-15-7-8-16-18(12-15)29-20(21(16)23)11-14-6-9-17(25-3)19(10-14)26-4/h6-13H,5H2,1-4H3/t13-/m0/s1