1-[(5-bromanylthiophen-2-yl)-quinolin-4-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-quinolin-4-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-quinolin-4-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-quinolyl)methyl]pipecolinic acid Formula: C20H19BrN2O2S MolecularWeight: 431.34606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=CC=C(S4)Br

InChI

InChI=1S/C20H19BrN2O2S/c21-18-9-8-17(26-18)19(23-12-4-3-7-16(23)20(24)25)14-10-11-22-15-6-2-1-5-13(14)15/h1-2,5-6,8-11,16,19H,3-4,7,12H2,(H,24,25)