1-[(5-ethylpyridin-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-fluorophenyl)methyl]nipecotic acid Formula: C20H23FN2O2 MolecularWeight: 342.407223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H23FN2O2/c1-2-14-5-10-18(22-12-14)19(15-6-8-17(21)9-7-15)23-11-3-4-16(13-23)20(24)25/h5-10,12,16,19H,2-4,11,13H2,1H3,(H,24,25)