[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 6-acetamidopyridine-2-carboxylate

Systemtic Name: [(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 6-acetamidopyridine-2-carboxylate Openeye Name: [(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 6-acetamidopyridine-2-carboxylate CAS Name: 6-acetamido-2-pyridinecarboxylic acid [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 6-acetamidopyridine-2-carboxylate Traditional Name: 6-acetamidopicolinic acid [(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NC(=CC=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=NC(=CC=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O4/c1-13(19(25)15-9-11-16(12-10-15)21(3,4)5)27-20(26)17-7-6-8-18(23-17)22-14(2)24/h6-13H,1-5H3,(H,22,23,24)/t13-/m0/s1