1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]isonipecotic acid Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c21-18-6-5-17(27-18)16-11-14(13-3-1-2-4-15(13)22-16)19(24)23-9-7-12(8-10-23)20(25)26/h1-6,11-12H,7-10H2,(H,25,26)