[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)O[C@H](C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H20FNO4/c1-13-17-12-16(22)8-9-18(17)27-19(13)21(25)26-14(2)20(24)23-11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,23,24)/t14-/m1/s1