[(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1R)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)O[C@H](C)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FNO5/c1-3-26-12-17-16-9-4-5-10-18(16)28-19(17)21(25)27-13(2)20(24)23-15-8-6-7-14(22)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,24)/t13-/m1/s1