1-[(2,4-dichlorophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-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=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O2/c22-16-5-6-17(18(23)11-16)20(25-9-1-2-19(25)21(26)27)14-3-4-15-12-24-8-7-13(15)10-14/h3-8,10-12,19-20H,1-2,9H2,(H,26,27)