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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=CN=C2)CN3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=CN=C2)CN3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H28N2O2/c1-3-17-7-9-19(10-8-17)21-12-18(13-23-14-21)15-24-11-5-6-20(16-24)22(25)26-4-2/h7-10,12-14,20H,3-6,11,15-16H2,1-2H3