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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-methyl-valeric acid Formula: C22H25Br2NO5 MolecularWeight: 543.2456

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H25Br2NO5/c1-5-12(4)19(22(28)29)25-21(27)13-8-16(23)20(17(24)9-13)30-14-6-7-18(26)15(10-14)11(2)3/h6-12,19,26H,5H2,1-4H3,(H,25,27)(H,28,29)