(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-cyano-N-phenethyl-acrylamide Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)Br)OCC=C

InChI

InChI=1S/C22H21BrN2O3/c1-3-11-28-21-19(23)13-17(14-20(21)27-2)12-18(15-24)22(26)25-10-9-16-7-5-4-6-8-16/h3-8,12-14H,1,9-11H2,2H3,(H,25,26)/b18-12+