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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(p-tolyl)methyl]proline Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-15-4-6-16(7-5-15)21(24-12-2-3-20(24)22(25)26)18-8-9-19-14-23-11-10-17(19)13-18/h4-11,13-14,20-21H,2-3,12H2,1H3,(H,25,26)