[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [2-[ethyl(piperonyl)amino]-2-keto-ethyl] ester Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=C(C4=C(O3)C=CC(=C4)F)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3=C(C4=C(O3)C=CC(=C4)F)C

InChI

InChI=1S/C22H20FNO6/c1-3-24(10-14-4-6-18-19(8-14)29-12-28-18)20(25)11-27-22(26)21-13(2)16-9-15(23)5-7-17(16)30-21/h4-9H,3,10-12H2,1-2H3