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

Systemtic Name: 4-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-4-oxo-butanoic acid CAS Name: 4-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-4-oxobutanoic acid Traditional Name: 4-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]-4-keto-butyric acid Formula: C19H19Br2NO5 MolecularWeight: 501.16586

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)NC(=O)CCC(=O)O)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19Br2NO5/c1-10(2)13-9-12(3-4-16(13)23)27-19-14(20)7-11(8-15(19)21)22-17(24)5-6-18(25)26/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,24)(H,25,26)