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

Systemtic Name: 1-[quinolin-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-quinolyl(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[3-quinolinyl(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-3-yl(thiophen-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-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=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CC4=CC=CC=C4N=C3

InChI

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