ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-(2,6-dimethylpyrimidine-4-carbonyl)-4-phenethyl-isonipecotic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NC(=N2)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-4-29-22(28)23(11-10-19-8-6-5-7-9-19)12-14-26(15-13-23)21(27)20-16-17(2)24-18(3)25-20/h5-9,16H,4,10-15H2,1-3H3