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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C(=CC=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=C(C(=CC=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H20Cl2N2O2/c23-19-5-1-4-18(20(19)24)21(26-10-2-3-17(13-26)22(27)28)15-6-7-16-12-25-9-8-14(16)11-15/h1,4-9,11-12,17,21H,2-3,10,13H2,(H,27,28)