[azanyl-[3-[5-(2-methoxy-2-oxidanylidene-ethyl)-5-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[3-[5-(2-methoxy-2-oxidanylidene-ethyl)-5-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[3-[5-(2-methoxy-2-oxo-ethyl)-5-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-4H-isoxazol-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[3-[5-(2-methoxy-2-oxoethyl)-5-[oxo-[4-[3-(trifluoromethyl)phenyl]anilino]methyl]-4H-isoxazol-3-yl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[3-[5-(2-methoxy-2-oxoethyl)-5-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[3-[5-(2-keto-2-methoxy-ethyl)-5-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-2-isoxazolin-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C29H24F6N4O6 MolecularWeight: 638.514479

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=[NH2+])N)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=[NH2+])N)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)C(F)(F)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H23F3N4O4.C2HF3O2/c1-37-23(35)15-26(14-22(34-38-26)18-5-2-6-19(12-18)24(31)32)25(36)33-21-10-8-16(9-11-21)17-4-3-7-20(13-17)27(28,29)30;3-2(4,5)1(6)7/h2-13H,14-15H2,1H3,(H3,31,32)(H,33,36);(H,6,7)