1-[[2,3-bis(chloranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dichlorophenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C22H20Cl2N2O2 MolecularWeight: 415.3124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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