[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate CAS Name: 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoate Traditional Name: 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H16ClF6NO3 MolecularWeight: 527.842859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)OC(=O)C(C3=CC=C(C=C3)Cl)C(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)OC(=O)C(C3=CC=C(C=C3)Cl)C(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H16ClF6NO3/c26-17-11-9-15(10-12-17)21(22(24(27,28)29)25(30,31)32)23(34)36-20(14-33)16-5-4-8-19(13-16)35-18-6-2-1-3-7-18/h1-13,20-22H