[cyano-(3-phenoxyphenyl)methyl] 2-bromanyl-3,3-dimethyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-bromanyl-3,3-dimethyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-bromo-3,3-dimethyl-butanoate CAS Name: 2-bromo-3,3-dimethylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-bromo-3,3-dimethylbutanoate Traditional Name: 2-bromo-3,3-dimethyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-20(2,3)18(21)19(23)25-17(13-22)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h4-12,17-18H,1-3H3