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

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-13(20(25)15-8-10-16(11-9-15)23-14(2)24)28-22(26)21-18(12-27-3)17-6-4-5-7-19(17)29-21/h4-11,13H,12H2,1-3H3,(H,23,24)