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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolyl)methyl]proline Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

InChI

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