1-[(3,4-dimethoxyphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolyl)methyl]proline Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-28-20-8-7-17(13-21(20)29-2)22(25-11-3-4-19(25)23(26)27)16-5-6-18-14-24-10-9-15(18)12-16/h5-10,12-14,19,22H,3-4,11H2,1-2H3,(H,26,27)