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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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