ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-pyrimidinyl]methyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate Traditional Name: 1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-3-(2-methoxyethyl)nipecotic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl)CCOC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN=C(N=C2)C3=CC=C(C=C3)Cl)CCOC

InChI

InChI=1S/C22H28ClN3O3/c1-3-29-21(27)22(10-12-28-2)9-4-11-26(16-22)15-17-13-24-20(25-14-17)18-5-7-19(23)8-6-18/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3