[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19BrFNO3 MolecularWeight: 408.261463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)F)Br

InChI

InChI=1S/C19H19BrFNO3/c1-12-3-9-17(16(20)11-12)22-19(24)13(2)25-18(23)10-6-14-4-7-15(21)8-5-14/h3-5,7-9,11,13H,6,10H2,1-2H3,(H,22,24)/t13-/m0/s1