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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methoxyphenyl)methyl]proline Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C22H22N2O3/c1-27-19-8-6-15(7-9-19)21(24-12-2-3-20(24)22(25)26)17-4-5-18-14-23-11-10-16(18)13-17/h4-11,13-14,20-21H,2-3,12H2,1H3,(H,25,26)