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

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

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CC=NC4=CC=CC=C34

InChI

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