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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-phenyl-propionic acid Formula: C25H23Br2NO5 MolecularWeight: 577.26182

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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)NC(CC3=CC=CC=C3)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Br)O

InChI

InChI=1S/C25H23Br2NO5/c1-14(2)18-13-17(8-9-22(18)29)33-23-19(26)11-16(12-20(23)27)24(30)28-21(25(31)32)10-15-6-4-3-5-7-15/h3-9,11-14,21,29H,10H2,1-2H3,(H,28,30)(H,31,32)