1-[[2,4-bis(fluoranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C22H20F2N2O2 MolecularWeight: 382.403206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=C(C=C4)F)F

InChI

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