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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolyl)methyl]proline Formula: C23H24N2O4 MolecularWeight: 392.44766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C23H24N2O4/c1-28-19-6-3-7-20(29-2)21(19)22(25-12-4-5-18(25)23(26)27)16-8-9-17-14-24-11-10-15(17)13-16/h3,6-11,13-14,18,22H,4-5,12H2,1-2H3,(H,26,27)