[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(2S)-1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O4 MolecularWeight: 374.81816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4/c1-11(2)18(24)22-14-8-6-13(7-9-14)16(23)12(3)26-19(25)15-5-4-10-21-17(15)20/h4-12H,1-3H3,(H,22,24)/t12-/m0/s1