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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC=NC4=CC=CC=C34

InChI

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