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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H20F2N2O2/c23-17-6-7-18(19(24)12-17)21(26-10-2-1-3-20(26)22(27)28)15-4-5-16-13-25-9-8-14(16)11-15/h4-9,11-13,20-21H,1-3,10H2,(H,27,28)