[(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1R)-2-keto-1-methyl-2-[[(1S)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(N=C(C=C2C)C)Cl

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=C(N=C(C=C2C)C)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-5-9-17(16-10-7-6-8-11-16)24-20(25)15(4)27-21(26)18-13(2)12-14(3)23-19(18)22/h6-8,10-12,15,17H,5,9H2,1-4H3,(H,24,25)/t15-,17+/m1/s1