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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromanylphenoxy)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenoxy)-3-methyl-butanoate CAS Name: 2-(4-bromophenoxy)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenoxy)-3-methylbutanoate Traditional Name: 2-(4-bromophenoxy)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H22BrNO4 MolecularWeight: 480.35048

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO4/c1-17(2)24(30-21-13-11-19(26)12-14-21)25(28)31-23(16-27)18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15,17,23-24H,1-2H3