[[6-(4-bromanylphenoxy)pyridin-2-yl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [[6-(4-bromanylphenoxy)pyridin-2-yl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [[6-(4-bromophenoxy)-2-pyridyl]-cyano-methyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [[6-(4-bromophenoxy)-2-pyridinyl]-cyanomethyl] ester IUPAC Name: [[6-(4-bromophenoxy)pyridin-2-yl]-cyanomethyl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [[6-(4-bromophenoxy)-2-pyridyl]-cyano-methyl] ester Formula: C24H20BrClN2O3 MolecularWeight: 499.7842

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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=NC(=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=NC(=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H20BrClN2O3/c1-15(2)23(16-6-10-18(26)11-7-16)24(29)31-21(14-27)20-4-3-5-22(28-20)30-19-12-8-17(25)9-13-19/h3-13,15,21,23H,1-2H3