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

Systemtic Name: 5-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-5-oxopentanoic acid Traditional Name: 5-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-5-keto-valeric acid Formula: C20H21Br2NO5 MolecularWeight: 515.19244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CCCC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CCCC(=O)O)Br)O

InChI

InChI=1S/C20H21Br2NO5/c1-11(2)14-10-13(6-7-17(14)24)28-20-15(21)8-12(9-16(20)22)23-18(25)4-3-5-19(26)27/h6-11,24H,3-5H2,1-2H3,(H,23,25)(H,26,27)