1-[[2,3-bis(chloranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dichlorophenyl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]pipecolinic acid Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

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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(=CC=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N2O2/c23-18-5-3-4-17(20(18)24)21(26-11-2-1-6-19(26)22(27)28)15-7-8-16-13-25-10-9-14(16)12-15/h3-5,7-10,12-13,19,21H,1-2,6,11H2,(H,27,28)