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

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,3-dichlorophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-dichlorophenyl)-(6-isoquinolyl)methyl]proline Formula: C21H18Cl2N2O2 MolecularWeight: 401.28582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O2/c22-17-4-1-3-16(19(17)23)20(25-10-2-5-18(25)21(26)27)14-6-7-15-12-24-9-8-13(15)11-14/h1,3-4,6-9,11-12,18,20H,2,5,10H2,(H,26,27)