(E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-butoxy-phenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-butoxyphenyl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-butoxy-phenyl)-2-cyano-N-p-phenetyl-acrylamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H23BrN2O3/c1-3-5-12-28-21-11-6-18(23)14-16(21)13-17(15-24)22(26)25-19-7-9-20(10-8-19)27-4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,25,26)/b17-13+