[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CN=C(C=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CN=C(C=C1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H17ClN2O3/c1-12(13-5-3-2-4-6-13)9-20-16(21)11-23-17(22)14-7-8-15(18)19-10-14/h2-8,10,12H,9,11H2,1H3,(H,20,21)/t12-/m1/s1