[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylindole-3-carboxylate

Systemtic Name: [(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylindole-3-carboxylate Openeye Name: [(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [(1R)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)O[C@H](C)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H18BrFN2O3/c1-3-24-11-15(14-6-4-5-7-18(14)24)20(26)27-12(2)19(25)23-17-9-8-13(21)10-16(17)22/h4-12H,3H2,1-2H3,(H,23,25)/t12-/m1/s1