2-[[2-oxidanyl-4-oxidanylidene-6-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-6-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-hydroxy-4-oxo-6-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[2-hydroxy-4-oxo-6-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-hydroxy-4-oxo-6-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[2-hydroxy-4-keto-6-phenyl-1-[4-(trifluoromethyl)benzyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid Formula: C24H18F3N3O5 MolecularWeight: 485.41203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN3C(=C2)C(=O)C(=C(N3CC4=CC=C(C=C4)C(F)(F)F)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN3C(=C2)C(=O)C(=C(N3CC4=CC=C(C=C4)C(F)(F)F)O)C(=O)NCC(=O)O

InChI

InChI=1S/C24H18F3N3O5/c25-24(26,27)17-8-6-14(7-9-17)12-30-23(35)20(22(34)28-11-19(31)32)21(33)18-10-16(13-29(18)30)15-4-2-1-3-5-15/h1-10,13,35H,11-12H2,(H,28,34)(H,31,32)