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

Systemtic Name: 1-[quinolin-2-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-quinolyl(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-quinolinyl(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-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=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

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