[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 7-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 7-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-fluoro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-fluoro-3-methyl-coumarilic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H24FNO4 MolecularWeight: 361.407263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)O[C@H](C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C20H24FNO4/c1-12-15-10-7-11-16(21)18(15)26-17(12)20(24)25-13(2)19(23)22-14-8-5-3-4-6-9-14/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,22,23)/t13-/m1/s1