2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoranyl-4-methyl-phenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoranyl-4-methyl-phenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methyl-phenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methylphenoxy]methyl]-8-quinolinyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methylphenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methyl-phenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid Formula: C25H24FN3O9 MolecularWeight: 529.471163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)OCC2=NC3=C(C=CC=C3N(CC(=O)O)CC(=O)O)C=C2)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1F)OCC2=NC3=C(C=CC=C3N(CC(=O)O)CC(=O)O)C=C2)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C25H24FN3O9/c1-14-7-19(29(11-23(34)35)12-24(36)37)20(8-17(14)26)38-13-16-6-5-15-3-2-4-18(25(15)27-16)28(9-21(30)31)10-22(32)33/h2-8H,9-13H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)