methyl 2-[[3-[2-acetyloxy-3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[[3-[2-acetyloxy-3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[3-[2-acetoxy-3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-2-cyano-anilino]-2-oxo-acetate CAS Name: 2-[3-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]-2-acetyloxypropoxy]-2-cyanoanilino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[3-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]-2-acetyloxypropoxy]-2-cyanoanilino]-2-oxoacetate Traditional Name: 2-[3-[2-acetoxy-3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-2-cyano-anilino]-2-keto-acetic acid methyl ester Formula: C26H25F3N2O9 MolecularWeight: 566.47991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)OC)OC(=O)C)CCC(F)(F)F)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCC(COC2=CC=CC(=C2C#N)NC(=O)C(=O)OC)OC(=O)C)CCC(F)(F)F)O

InChI

InChI=1S/C26H25F3N2O9/c1-14(32)17-7-8-22(18(23(17)34)9-10-26(27,28)29)39-13-16(40-15(2)33)12-38-21-6-4-5-20(19(21)11-30)31-24(35)25(36)37-3/h4-8,16,34H,9-10,12-13H2,1-3H3,(H,31,35)