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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H23Br2NO6 MolecularWeight: 593.26122

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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=C(C=C3)O)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=C(C=C3)O)C(=O)O)Br)O

InChI

InChI=1S/C25H23Br2NO6/c1-13(2)18-12-17(7-8-22(18)30)34-23-19(26)10-15(11-20(23)27)24(31)28-21(25(32)33)9-14-3-5-16(29)6-4-14/h3-8,10-13,21,29-30H,9H2,1-2H3,(H,28,31)(H,32,33)