[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H19BrN2O3/c1-13(7-8-14-5-3-2-4-6-14)21-17(22)12-24-18(23)15-9-16(19)11-20-10-15/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,22)/t13-/m1/s1