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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(4-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=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=C(C=C(C=C2)F)F)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

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