1-[[2,4-bis(fluoranyl)phenyl]-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C22H20F2N2O2 MolecularWeight: 382.403206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4N=C3)C(=O)O

InChI

InChI=1S/C22H20F2N2O2/c23-17-7-8-18(19(24)11-17)21(26-9-3-5-15(13-26)22(27)28)16-10-14-4-1-2-6-20(14)25-12-16/h1-2,4,6-8,10-12,15,21H,3,5,9,13H2,(H,27,28)