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

Systemtic Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CN=CC=C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)COC(=O)C2=CN=CC=C2)C)C(C)(C)C

InChI

InChI=1S/C22H28N2O3/c1-15-11-18(22(3,4)5)12-16(2)19(15)8-10-24-20(25)14-27-21(26)17-7-6-9-23-13-17/h6-7,9,11-13H,8,10,14H2,1-5H3,(H,24,25)