1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-isoquinolin-6-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-isoquinolin-6-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(6-isoquinolyl)methyl]proline Formula: C19H17BrN2O2S MolecularWeight: 417.31948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C19H17BrN2O2S/c20-17-6-5-16(25-17)18(22-9-1-2-15(22)19(23)24)13-3-4-14-11-21-8-7-12(14)10-13/h3-8,10-11,15,18H,1-2,9H2,(H,23,24)