(3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethylsulfonyl)phenyl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethylsulfonyl)phenyl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethylsulfonyl)phenyl]butanoate CAS Name: 2-cyano-3-methyl-2-[4-(trifluoromethylsulfonyl)phenyl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-[4-(trifluoromethylsulfonyl)phenyl]butanoate Traditional Name: 2-cyano-3-methyl-2-(4-triflylphenyl)butyric acid (3-phenoxybenzyl) ester Formula: C26H22F3NO5S MolecularWeight: 517.51679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)(C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#N)(C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H22F3NO5S/c1-18(2)25(17-30,20-11-13-23(14-12-20)36(32,33)26(27,28)29)24(31)34-16-19-7-6-10-22(15-19)35-21-8-4-3-5-9-21/h3-15,18H,16H2,1-2H3