1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]proline Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O)C

InChI

InChI=1S/C23H24N2O2/c1-15-10-16(2)12-20(11-15)22(25-9-3-4-21(25)23(26)27)18-5-6-19-14-24-8-7-17(19)13-18/h5-8,10-14,21-22H,3-4,9H2,1-2H3,(H,26,27)