4-[[3-[[3-[3-[bis(fluoranyl)methyl]-5-cyano-phenoxy]-4-ethyl-2-fluoranyl-phenyl]methyl]-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[[3-[3-[bis(fluoranyl)methyl]-5-cyano-phenoxy]-4-ethyl-2-fluoranyl-phenyl]methyl]-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[[3-[3-cyano-5-(difluoromethyl)phenoxy]-4-ethyl-2-fluoro-phenyl]methyl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-[[3-[3-cyano-5-(difluoromethyl)phenoxy]-4-ethyl-2-fluorophenyl]methyl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-[[3-[3-cyano-5-(difluoromethyl)phenoxy]-4-ethyl-2-fluorophenyl]methyl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[3-[3-[3-cyano-5-(difluoromethyl)phenoxy]-4-ethyl-2-fluoro-benzyl]-5-keto-4-methyl-1,2,4-triazol-1-yl]methoxy]-4-keto-butyric acid Formula: C25H23F3N4O6 MolecularWeight: 532.46853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)CC2=NN(C(=O)N2C)COC(=O)CCC(=O)O)F)OC3=CC(=CC(=C3)C(F)F)C#N

Isomeric SMILES

CCC1=C(C(=C(C=C1)CC2=NN(C(=O)N2C)COC(=O)CCC(=O)O)F)OC3=CC(=CC(=C3)C(F)F)C#N

InChI

InChI=1S/C25H23F3N4O6/c1-3-15-4-5-16(22(26)23(15)38-18-9-14(12-29)8-17(10-18)24(27)28)11-19-30-32(25(36)31(19)2)13-37-21(35)7-6-20(33)34/h4-5,8-10,24H,3,6-7,11,13H2,1-2H3,(H,33,34)