methyl (2R)-2-[[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate

Systemtic Name: methyl (2R)-2-[[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate Openeye Name: methyl (2R)-2-[2-(1,3-benzodioxol-5-ylmethylene)-7-methyl-3-oxo-benzofuran-6-yl]oxypropanoate CAS Name: (2R)-2-[[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-6-benzofuranyl]oxy]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]propanoate Traditional Name: (2R)-2-(3-keto-7-methyl-2-piperonylidene-coumaran-6-yl)oxypropionic acid methyl ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OC(C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O[C@H](C)C(=O)OC

InChI

InChI=1S/C21H18O7/c1-11-15(27-12(2)21(23)24-3)7-5-14-19(22)18(28-20(11)14)9-13-4-6-16-17(8-13)26-10-25-16/h4-9,12H,10H2,1-3H3/t12-/m1/s1