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

Systemtic Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-14-10-16(21(3,4)5)11-15(2)17(14)6-7-24-19(25)13-27-20(26)18-12-22-8-9-23-18/h8-12H,6-7,13H2,1-5H3,(H,24,25)