[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl] ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO5/c1-13-18-12-16(23)6-9-19(18)29-20(13)22(26)28-14(2)21(25)24-11-10-15-4-7-17(27-3)8-5-15/h4-9,12,14H,10-11H2,1-3H3,(H,24,25)/t14-/m0/s1