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

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18ClFN2O3 MolecularWeight: 364.798523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NCC2=CC=C(C=C2)F)Cl)C

InChI

InChI=1S/C18H18ClFN2O3/c1-10-8-11(2)22-16(19)15(10)18(24)25-12(3)17(23)21-9-13-4-6-14(20)7-5-13/h4-8,12H,9H2,1-3H3,(H,21,23)/t12-/m0/s1