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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]butanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]butanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]butyric acid Formula: C20H21Br2NO5 MolecularWeight: 515.19244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

InChI

InChI=1S/C20H21Br2NO5/c1-4-16(20(26)27)23-19(25)11-7-14(21)18(15(22)8-11)28-12-5-6-17(24)13(9-12)10(2)3/h5-10,16,24H,4H2,1-3H3,(H,23,25)(H,26,27)