1-[(4-ethylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-2-15-7-9-16(10-8-15)19(17-5-3-11-21-13-17)22-12-4-6-18(14-22)20(23)24/h3,5,7-11,13,18-19H,2,4,6,12,14H2,1H3,(H,23,24)