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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-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-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NCC(C)C2=CC=CC=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3/c1-12-10-14(3)23-18(21)17(12)20(25)26-15(4)19(24)22-11-13(2)16-8-6-5-7-9-16/h5-10,13,15H,11H2,1-4H3,(H,22,24)/t13-,15+/m1/s1