6-[[5-bromanyl-2-[3,3,3-tris(fluoranyl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-[3,3,3-tris(fluoranyl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxy-propoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxy-propoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C17H17BrF3N3O4 MolecularWeight: 464.23379

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(C(F)(F)F)O)C2=NN=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(C(F)(F)F)O)C2=NN=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17BrF3N3O4/c1-2-24(15-6-4-12(16(26)27)22-23-15)8-10-7-11(18)3-5-13(10)28-9-14(25)17(19,20)21/h3-7,14,25H,2,8-9H2,1H3,(H,26,27)