methyl (E)-3-[3-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[4-(2-bromo-4-tert-butyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[4-(2-bromo-4-tert-butylphenoxy)butanoyloxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[4-(2-bromo-4-tert-butyl-phenoxy)butanoyloxy]phenyl]-2-cyano-acrylic acid methyl ester Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO5/c1-25(2,3)19-10-11-22(21(26)15-19)31-12-6-9-23(28)32-20-8-5-7-17(14-20)13-18(16-27)24(29)30-4/h5,7-8,10-11,13-15H,6,9,12H2,1-4H3/b18-13+