ethyl 1-[[5-(2,3-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(2,3-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(2,3-dimethylphenyl)-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2,3-dimethylphenyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2,3-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=C(C(=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-4-26-22(25)19-8-10-24(11-9-19)15-18-12-20(14-23-13-18)21-7-5-6-16(2)17(21)3/h5-7,12-14,19H,4,8-11,15H2,1-3H3