[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C22H19ClN2O3/c1-14-10-11-15(2)18(13-14)25-21(26)19(16-7-4-3-5-8-16)28-22(27)17-9-6-12-24-20(17)23/h3-13,19H,1-2H3,(H,25,26)/t19-/m0/s1