[2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=C(N=CC=C2)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=C(N=CC=C2)Cl)C)C(C)(C)C

InChI

InChI=1S/C22H27ClN2O3/c1-14-11-16(22(3,4)5)12-15(2)17(14)8-10-24-19(26)13-28-21(27)18-7-6-9-25-20(18)23/h6-7,9,11-12H,8,10,13H2,1-5H3,(H,24,26)