1-[quinolin-3-yl(thiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[quinolin-3-yl(thiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-quinolyl(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[3-quinolinyl(thiophen-2-yl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl(thiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-quinolyl(2-thienyl)methyl]pipecolinic acid Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CS2)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CS2)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H20N2O2S/c23-20(24)17-8-3-4-10-22(17)19(18-9-5-11-25-18)15-12-14-6-1-2-7-16(14)21-13-15/h1-2,5-7,9,11-13,17,19H,3-4,8,10H2,(H,23,24)