[2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC(CC(C)C)C2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2)Cl)C

InChI

InChI=1S/C21H25ClN2O3/c1-13(2)10-17(16-8-6-5-7-9-16)24-18(25)12-27-21(26)19-14(3)11-15(4)23-20(19)22/h5-9,11,13,17H,10,12H2,1-4H3,(H,24,25)/t17-/m0/s1