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

Systemtic Name: methyl (E)-3-[3-[4-(2-bromanyl-4-ethyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[4-(2-bromo-4-ethyl-phenoxy)butanoyloxy]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[4-(2-bromo-4-ethylphenoxy)-1-oxobutoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[4-(2-bromo-4-ethylphenoxy)butanoyloxy]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[4-(2-bromo-4-ethyl-phenoxy)butanoyloxy]phenyl]-2-cyano-acrylic acid methyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)Br

InChI

InChI=1S/C23H22BrNO5/c1-3-16-9-10-21(20(24)14-16)29-11-5-8-22(26)30-19-7-4-6-17(13-19)12-18(15-25)23(27)28-2/h4,6-7,9-10,12-14H,3,5,8,11H2,1-2H3/b18-12+