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

Systemtic Name: methyl (E)-3-[3-[4-(2-bromanyl-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[4-(2-bromo-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[4-(2-bromo-4-methylphenoxy)-1-oxobutoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[4-(2-bromo-4-methylphenoxy)butanoyloxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[4-(2-bromo-4-methyl-phenoxy)butanoyloxy]phenyl]-2-cyano-acrylic acid methyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)Br

InChI

InChI=1S/C22H20BrNO5/c1-15-8-9-20(19(23)11-15)28-10-4-7-21(25)29-18-6-3-5-16(13-18)12-17(14-24)22(26)27-2/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3/b17-12+