[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C21H20O5/c1-13-8-10-15(11-9-13)19(22)14(2)25-21(23)20-17(12-24-3)16-6-4-5-7-18(16)26-20/h4-11,14H,12H2,1-3H3