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

Systemtic Name: 1-[quinolin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-quinolyl(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-quinolinyl(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[quinolin-2-yl(thiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-quinolyl(2-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=NC3=CC=CC=C3C=C2)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=CC=CS4

InChI

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