1-[quinolin-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[quinolin-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-quinolyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-quinolinyl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-quinolyl(3-thienyl)methyl]isonipecotic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=NC4=CC=CC=C4C=C3

InChI

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