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

Systemtic Name: [[3-(4-bromanylphenoxy)phenyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [[3-(4-bromophenoxy)phenyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [[3-(4-bromophenoxy)phenyl]-cyanomethyl] ester IUPAC Name: [[3-(4-bromophenoxy)phenyl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [[3-(4-bromophenoxy)phenyl]-cyano-methyl] ester Formula: C25H21BrClNO3 MolecularWeight: 498.79614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrClNO3/c1-16(2)24(17-6-10-20(27)11-7-17)25(29)31-23(15-28)18-4-3-5-22(14-18)30-21-12-8-19(26)9-13-21/h3-14,16,23-24H,1-2H3