[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 6-acetamidopyridine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 6-acetamidopyridine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 6-acetamidopyridine-2-carboxylate CAS Name: 6-acetamido-2-pyridinecarboxylic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 6-acetamidopyridine-2-carboxylate Traditional Name: 6-acetamidopicolinic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-11-9-13(3)16(10-12(11)2)19(24)14(4)26-20(25)17-7-6-8-18(22-17)21-15(5)23/h6-10,14H,1-5H3,(H,21,22,23)/t14-/m0/s1