1-[(5-chloranylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2-quinolyl)methyl]nipecotic acid Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=NC3=CC=CC=C3C=C2)C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN2O2S/c21-18-10-9-17(26-18)19(23-11-3-5-14(12-23)20(24)25)16-8-7-13-4-1-2-6-15(13)22-16/h1-2,4,6-10,14,19H,3,5,11-12H2,(H,24,25)