[(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1R)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C21H17BrN2O4 MolecularWeight: 441.27468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H17BrN2O4/c1-14(27-21(26)15-11-16(22)13-23-12-15)20(25)24-17-7-9-19(10-8-17)28-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)/t14-/m1/s1