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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3/c1-3-14(15-8-5-4-6-9-15)12-22-18(23)13(2)25-19(24)16-10-7-11-21-17(16)20/h4-11,13-14H,3,12H2,1-2H3,(H,22,23)/t13-,14+/m0/s1