[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H17ClN2O4/c1-14(26)16-9-5-10-17(13-16)25-21(27)19(15-7-3-2-4-8-15)29-22(28)18-11-6-12-24-20(18)23/h2-13,19H,1H3,(H,25,27)/t19-/m0/s1