[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2CCCCN2C3=NC=CC=N3)C

InChI

InChI=1S/C21H25N3O3/c1-14-11-15(2)19(16(3)12-14)18(25)13-27-20(26)17-7-4-5-10-24(17)21-22-8-6-9-23-21/h6,8-9,11-12,17H,4-5,7,10,13H2,1-3H3