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

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(3-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=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)F)F)C3=CC4=CC=CC=C4N=C3

InChI

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