[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COCC

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)COCC

InChI

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