1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-pyridyl)methyl]nipecotic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H28N2O4/c1-4-15-10-11-17(23-13-15)21(24-12-6-7-16(14-24)22(25)26)20-18(27-2)8-5-9-19(20)28-3/h5,8-11,13,16,21H,4,6-7,12,14H2,1-3H3,(H,25,26)