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

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

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrClNO3/c1-17(2)25(16-28,19-9-11-21(27)12-10-19)24(29)30-15-18-5-3-7-22(13-18)31-23-8-4-6-20(26)14-23/h3-14,17H,15H2,1-2H3