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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]acetic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]acetic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]acetic acid Formula: C18H17Br2NO5 MolecularWeight: 487.13928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NCC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NCC(=O)O)Br)O

InChI

InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-17-13(19)5-10(6-14(17)20)18(25)21-8-16(23)24/h3-7,9,22H,8H2,1-2H3,(H,21,25)(H,23,24)