[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OC(C)C(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)O[C@H](C)C(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H23FN2O4/c1-13-16-11-15(22)7-8-17(16)28-18(13)20(26)27-14(2)19(25)24(3)21(12-23)9-5-4-6-10-21/h7-8,11,14H,4-6,9-10H2,1-3H3/t14-/m1/s1