[2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic 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] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C)C(C)(C)C

InChI

InChI=1S/C22H28N2O4/c1-15-12-17(22(3,4)5)13-16(2)18(15)9-10-23-20(25)14-28-21(26)19-8-6-7-11-24(19)27/h6-8,11-13H,9-10,14H2,1-5H3,(H,23,25)