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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]propanoic acid Openeye Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]propanoic acid CAS Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]propanoic acid IUPAC Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]propanoic acid Traditional Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)anilino]propionic acid Formula: C18H19Br2NO4 MolecularWeight: 473.15576

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Br2NO4/c1-9(2)13-8-12(4-5-16(13)22)25-17-14(19)6-11(7-15(17)20)21-10(3)18(23)24/h4-10,21-22H,1-3H3,(H,23,24)