[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[2-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(1R)-2-[2-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)O[C@H](C)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4/c1-13-17-5-3-4-6-18(17)27-19(13)21(25)26-14(2)20(24)23-12-11-15-7-9-16(22)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,23,24)/t14-/m1/s1