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

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-(3,4-dimethoxyanilino)-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-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)OC)OC)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C(=O)NC2=CC(=C(C=C2)OC)OC)Cl)C

InChI

InChI=1S/C19H21ClN2O5/c1-10-8-11(2)21-17(20)16(10)19(24)27-12(3)18(23)22-13-6-7-14(25-4)15(9-13)26-5/h6-9,12H,1-5H3,(H,22,23)/t12-/m0/s1