[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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