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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methyl-butanoate CAS Name: 2-(4-fluorophenyl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-fluorophenyl)-3-methylbutanoate Traditional Name: 2-(4-fluorophenyl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H22FNO3 MolecularWeight: 403.445483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3