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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfonyl)phenyl]pentanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfonyl)phenyl]pentanoate CAS Name: 2-[4-(trifluoromethylsulfonyl)phenyl]pentanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethylsulfonyl)phenyl]pentanoate Traditional Name: 2-(4-triflylphenyl)valeric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H22F3NO5S MolecularWeight: 517.51679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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