[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylate CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylate Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)OC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H22O6/c1-14(24)7-8-16-9-10-19-18(11-16)15(2)22(29-19)23(25)27-13-17-12-26-20-5-3-4-6-21(20)28-17/h3-6,9-11,17H,7-8,12-13H2,1-2H3/t17-/m1/s1