3-[6-(5-bromanylpentoxy)-5-(2-carboxyethyl)quinolin-2-yl]propanoic acid

Systemtic Name: 3-[6-(5-bromanylpentoxy)-5-(2-carboxyethyl)quinolin-2-yl]propanoic acid Openeye Name: 3-[6-(5-bromopentoxy)-5-(2-carboxyethyl)-2-quinolyl]propanoic acid CAS Name: 3-[6-(5-bromopentoxy)-5-(2-carboxyethyl)-2-quinolinyl]propanoic acid IUPAC Name: 3-[6-(5-bromopentoxy)-5-(2-carboxyethyl)quinolin-2-yl]propanoic acid Traditional Name: 3-[6-(5-bromopentoxy)-5-(2-carboxyethyl)-2-quinolyl]propionic acid Formula: C20H24BrNO5 MolecularWeight: 438.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2CCC(=O)O)OCCCCCBr)N=C1CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2CCC(=O)O)OCCCCCBr)N=C1CCC(=O)O

InChI

InChI=1S/C20H24BrNO5/c21-12-2-1-3-13-27-18-9-8-17-15(16(18)7-11-20(25)26)6-4-14(22-17)5-10-19(23)24/h4,6,8-9H,1-3,5,7,10-13H2,(H,23,24)(H,25,26)