ethyl 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidinyl)-5-pyrimidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidino-pyrimidin-5-yl]methyl]isonipecotic acid ethyl ester Formula: C29H42N4O2 MolecularWeight: 478.66938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCC(CC4)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCC(CC4)C(=O)OCC)C

InChI

InChI=1S/C29H42N4O2/c1-5-22-12-11-13-23(6-2)26(22)27-30-21(4)25(28(31-27)33-16-9-8-10-17-33)20-32-18-14-24(15-19-32)29(34)35-7-3/h11-13,24H,5-10,14-20H2,1-4H3