[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-11(2)13-4-7-15(8-5-13)21-17(22)12(3)24-18(23)14-6-9-16(19)20-10-14/h4-12H,1-3H3,(H,21,22)/t12-/m0/s1