(3-phenoxyphenyl)methyl 2-(4-bromophenyl)-2-cyano-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-bromophenyl)-2-cyano-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(4-bromophenyl)-2-cyano-3-methyl-butanoate CAS Name: 2-(4-bromophenyl)-2-cyano-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-bromophenyl)-2-cyano-3-methylbutanoate Traditional Name: 2-(4-bromophenyl)-2-cyano-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO3/c1-18(2)25(17-27,20-11-13-21(26)14-12-20)24(28)29-16-19-7-6-10-23(15-19)30-22-8-4-3-5-9-22/h3-15,18H,16H2,1-2H3