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

Systemtic Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(2-methoxyphenyl)methyl]proline Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C22H22N2O3/c1-27-20-7-3-2-5-18(20)21(24-12-4-6-19(24)22(25)26)16-8-9-17-14-23-11-10-15(17)13-16/h2-3,5,7-11,13-14,19,21H,4,6,12H2,1H3,(H,25,26)