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

Systemtic Name: ethyl (E)-3-[3-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C26H28BrNO5 MolecularWeight: 514.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)/C#N

InChI

InChI=1S/C26H28BrNO5/c1-5-31-25(30)19(17-28)14-18-8-6-9-21(15-18)33-24(29)10-7-13-32-23-12-11-20(16-22(23)27)26(2,3)4/h6,8-9,11-12,14-16H,5,7,10,13H2,1-4H3/b19-14+