[(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1R)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5/c1-4-27-12-17-16-7-5-6-8-19(16)29-20(17)22(26)28-14(3)21(25)24-15-10-9-13(2)18(23)11-15/h5-11,14H,4,12H2,1-3H3,(H,24,25)/t14-/m1/s1