[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=C(N=CC=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)C1=C(N=CC=C1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H19ClN2O3/c1-12(14-7-4-3-5-8-14)11-21-17(22)13(2)24-18(23)15-9-6-10-20-16(15)19/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13+/m1/s1