1-[(4-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

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