ethyl 1-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(3,5-dimethylphenyl)-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3,5-dimethylphenyl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3,5-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(3,5-dimethylphenyl)-3-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H28N2O2/c1-4-26-22(25)19-5-7-24(8-6-19)15-18-12-21(14-23-13-18)20-10-16(2)9-17(3)11-20/h9-14,19H,4-8,15H2,1-3H3