ethyl 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methylpiperidin-1-yl)-2-phenyl-pyrimidin-5-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-methyl-1-piperidyl)-2-phenyl-pyrimidine-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-methyl-1-piperidinyl)-2-phenyl-5-pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-methylpiperidino)-2-phenyl-pyrimidine-5-carbonyl]isonipecotic acid ethyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2N3CCC(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN=C(N=C2N3CCC(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c1-3-32-25(31)20-11-15-29(16-12-20)24(30)21-17-26-22(19-7-5-4-6-8-19)27-23(21)28-13-9-18(2)10-14-28/h4-8,17-18,20H,3,9-16H2,1-2H3