3-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]propanoic acid CAS Name: 3-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]propanoic acid Traditional Name: 3-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]propionic 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)NCCC(=O)O)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19Br2NO5/c1-10(2)13-9-12(3-4-16(13)23)27-18-14(20)7-11(8-15(18)21)19(26)22-6-5-17(24)25/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,26)(H,24,25)