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

Systemtic Name: 1-[isoquinolin-6-yl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-phenylphenyl)methyl]proline Formula: C27H24N2O2 MolecularWeight: 408.49166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5)C(=O)O

InChI

InChI=1S/C27H24N2O2/c30-27(31)25-7-4-16-29(25)26(23-12-13-24-18-28-15-14-22(24)17-23)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-3,5-6,8-15,17-18,25-26H,4,7,16H2,(H,30,31)