[cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [cyano-(4-fluoro-3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [cyano-(4-fluoro-3-phenoxy-phenyl)methyl] ester Formula: C25H21ClFNO3 MolecularWeight: 437.890543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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