1-[(4-propan-2-ylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-cumenyl(3-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-15(2)16-5-7-17(8-6-16)20(19-4-3-11-22-14-19)23-12-9-18(10-13-23)21(24)25/h3-8,11,14-15,18,20H,9-10,12-13H2,1-2H3,(H,24,25)