3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)benzamide; 2-methylpropanoic acid

Systemtic Name: 3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)benzamide; 2-methylpropanoic acid Openeye Name: 3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzamide; 2-methylpropanoic acid CAS Name: 3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzamide; 2-methylpropanoic acid IUPAC Name: 3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzamide; 2-methylpropanoic acid Traditional Name: 3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzamide; isobutyric acid Formula: C20H23Br2NO5 MolecularWeight: 517.20832

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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)Br)O.CC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15Br2NO3.C4H8O2/c1-8(2)11-7-10(3-4-14(11)20)22-15-12(17)5-9(16(19)21)6-13(15)18;1-3(2)4(5)6/h3-8,20H,1-2H3,(H2,19,21);3H,1-2H3,(H,5,6)