[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H17BrN2O3/c1-12(24-18(23)14-9-15(19)11-20-10-14)17(22)21-8-4-6-13-5-2-3-7-16(13)21/h2-3,5,7,9-12H,4,6,8H2,1H3/t12-/m0/s1