[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19BrN2O3 MolecularWeight: 439.30186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C22H19BrN2O3/c1-14-8-9-15(2)19(10-14)25-21(26)20(16-6-4-3-5-7-16)28-22(27)17-11-18(23)13-24-12-17/h3-13,20H,1-2H3,(H,25,26)/t20-/m0/s1