[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C21H21NO6/c1-13(20(23)22-16-9-5-7-11-18(16)26-3)27-21(24)19-15(12-25-2)14-8-4-6-10-17(14)28-19/h4-11,13H,12H2,1-3H3,(H,22,23)/t13-/m0/s1