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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)-2-propyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-2-propyl-benzoyl]amino]acetic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-propylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-propylbenzoyl]amino]acetic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-2-propyl-benzoyl]amino]acetic acid Formula: C21H23Br2NO5 MolecularWeight: 529.21902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1C(=O)NCC(=O)O)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

Isomeric SMILES

CCCC1=C(C(=C(C=C1C(=O)NCC(=O)O)Br)OC2=CC(=C(C=C2)O)C(C)C)Br

InChI

InChI=1S/C21H23Br2NO5/c1-4-5-13-15(21(28)24-10-18(26)27)9-16(22)20(19(13)23)29-12-6-7-17(25)14(8-12)11(2)3/h6-9,11,25H,4-5,10H2,1-3H3,(H,24,28)(H,26,27)