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

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]isonipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC(=CC=C3)C)CCOC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=C(N=C2)C3=CC(=CC=C3)C)CCOC

InChI

InChI=1S/C23H31N3O3/c1-4-29-22(27)23(10-13-28-3)8-11-26(12-9-23)17-19-15-24-21(25-16-19)20-7-5-6-18(2)14-20/h5-7,14-16H,4,8-13,17H2,1-3H3