2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]-methylamino]acetic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-methyl-amino]acetic acid Formula: C19H19Br2NO5 MolecularWeight: 501.16586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)N(C)CC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)N(C)CC(=O)O)Br)O

InChI

InChI=1S/C19H19Br2NO5/c1-10(2)13-8-12(4-5-16(13)23)27-18-14(20)6-11(7-15(18)21)19(26)22(3)9-17(24)25/h4-8,10,23H,9H2,1-3H3,(H,24,25)