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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CS2)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CS2)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

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