2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-bis(fluoranyl)phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid

Systemtic Name: 2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-bis(fluoranyl)phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid Openeye Name: 2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-difluoro-phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylic acid CAS Name: 2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-difluorophenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylic acid IUPAC Name: 2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-difluorophenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid Traditional Name: 2-[6-[bis(carboxymethyl)amino]-5-[2-[6-[bis(carboxymethyl)amino]-2,3-difluoro-phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylic acid Formula: C28H23F2N3O14 MolecularWeight: 663.490726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)O)N(CC(=O)O)CC(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C(=C1N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C3C(=C2)C=C(O3)C4=NC=C(O4)C(=O)O)N(CC(=O)O)CC(=O)O)F)F

InChI

InChI=1S/C28H23F2N3O14/c29-14-1-2-15(32(9-21(34)35)10-22(36)37)26(25(14)30)45-4-3-44-18-5-13-6-19(27-31-8-20(47-27)28(42)43)46-17(13)7-16(18)33(11-23(38)39)12-24(40)41/h1-2,5-8H,3-4,9-12H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)