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

Systemtic Name: 1-[isoquinolin-6-yl-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl-(4-methyl-2-thienyl)methyl]proline Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-13-9-18(25-12-13)19(22-8-2-3-17(22)20(23)24)15-4-5-16-11-21-7-6-14(16)10-15/h4-7,9-12,17,19H,2-3,8H2,1H3,(H,23,24)