1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(6-isoquinolyl)methyl]proline Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C23H20N2O2S/c26-23(27)20-5-3-11-25(20)22(19-14-28-21-6-2-1-4-18(19)21)16-7-8-17-13-24-10-9-15(17)12-16/h1-2,4,6-10,12-14,20,22H,3,5,11H2,(H,26,27)