ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,6-dimethylpyrimidin-4-yl)carbonyl-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: 1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,6-dimethylpyrimidine-4-carbonyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: 1-(2,6-dimethylpyrimidine-4-carbonyl)-3-phenethyl-nipecotic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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