1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(4-quinolyl)methyl]proline Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=CSC5=CC=CC=C54)C(=O)O

InChI

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