ethyl 4-[(4-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(2,6-dimethylpyrimidine-4-carbonyl)isonipecotic acid ethyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-4-29-21(28)22(14-17-5-7-18(23)8-6-17)9-11-26(12-10-22)20(27)19-13-15(2)24-16(3)25-19/h5-8,13H,4,9-12,14H2,1-3H3