1-[quinolin-4-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[quinolin-4-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-quinolyl(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[4-quinolinyl(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-4-yl(thiophen-3-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-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=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

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