1-(2-chloroethyl)-4-[3-(3-fluoranylquinolin-4-yl)propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloroethyl)-4-[3-(3-fluoranylquinolin-4-yl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolinyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-chloroethyl)-4-[3-(3-fluoroquinolin-4-yl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-chloroethyl)-4-[3-(3-fluoro-4-quinolyl)propyl]isonipecotic acid Formula: C20H24ClFN2O2 MolecularWeight: 378.868163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCCC2=C(C=NC3=CC=CC=C32)F)C(=O)O)CCCl

Isomeric SMILES

C1CN(CCC1(CCCC2=C(C=NC3=CC=CC=C32)F)C(=O)O)CCCl

InChI

InChI=1S/C20H24ClFN2O2/c21-10-13-24-11-8-20(9-12-24,19(25)26)7-3-5-15-16-4-1-2-6-18(16)23-14-17(15)22/h1-2,4,6,14H,3,5,7-13H2,(H,25,26)