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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(4-methoxyphenyl)methyl]nipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-15-6-11-19(22-13-15)20(16-7-9-18(26-2)10-8-16)23-12-4-5-17(14-23)21(24)25/h6-11,13,17,20H,3-5,12,14H2,1-2H3,(H,24,25)