ethyl 3-[(3-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidin-4-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[(2,6-dimethyl-4-pyrimidinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-(2,6-dimethylpyrimidine-4-carbonyl)nipecotic acid ethyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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