[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-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] 6-chloropyridine-3-carboxylate Traditional Name: 6-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=CN=C(C=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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