[cyano-(3-phenoxyphenyl)methyl] 2-(3-fluoranylphenoxy)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-fluoranylphenoxy)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-fluorophenoxy)-3-methyl-butanoate CAS Name: 2-(3-fluorophenoxy)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(3-fluorophenoxy)-3-methylbutanoate Traditional Name: 2-(3-fluorophenoxy)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H22FNO4 MolecularWeight: 419.444883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC(=CC=C3)F

InChI

InChI=1S/C25H22FNO4/c1-17(2)24(30-22-13-7-9-19(26)15-22)25(28)31-23(16-27)18-8-6-12-21(14-18)29-20-10-4-3-5-11-20/h3-15,17,23-24H,1-2H3