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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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