(phenylmethyl) 2-(4-chlorophenyl)-2-cyano-3-(4-fluoranylphenoxy)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-(4-chlorophenyl)-2-cyano-3-(4-fluoranylphenoxy)-3-methyl-butanoate Openeye Name: benzyl 2-(4-chlorophenyl)-2-cyano-3-(4-fluorophenoxy)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-2-cyano-3-(4-fluorophenoxy)-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-chlorophenyl)-2-cyano-3-(4-fluorophenoxy)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-2-cyano-3-(4-fluorophenoxy)-3-methyl-butyric acid benzyl ester Formula: C25H21ClFNO3 MolecularWeight: 437.890543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFNO3/c1-24(2,31-22-14-12-21(27)13-15-22)25(17-28,19-8-10-20(26)11-9-19)23(29)30-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3