[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-14-7-8-15(2)16(12-14)18(24)13-26-19(25)17-6-3-4-11-23(17)20-21-9-5-10-22-20/h5,7-10,12,17H,3-4,6,11,13H2,1-2H3