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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C(=NC2=C1)CCC(=O)O)OCCCCCBr)CCC(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C(=NC2=C1)CCC(=O)O)OCCCCCBr)CCC(=O)O

InChI

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