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

Systemtic Name: 1-[(4-dimethylaminophenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(6-isoquinolyl)methyl]proline Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-25(2)20-9-7-16(8-10-20)22(26-13-3-4-21(26)23(27)28)18-5-6-19-15-24-12-11-17(19)14-18/h5-12,14-15,21-22H,3-4,13H2,1-2H3,(H,27,28)