(E)-3-(3-bromanyl-5-iodanyl-4-phenylmethoxy-phenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-iodanyl-4-phenylmethoxy-phenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-iodo-phenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide CAS Name: (E)-3-(3-bromo-5-iodo-4-phenylmethoxyphenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-iodo-4-phenylmethoxyphenyl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-iodo-phenyl)-2-cyano-N-p-anisyl-acrylamide Formula: C25H20BrIN2O3 MolecularWeight: 603.24637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)Br)/C#N

InChI

InChI=1S/C25H20BrIN2O3/c1-31-21-9-7-17(8-10-21)15-29-25(30)20(14-28)11-19-12-22(26)24(23(27)13-19)32-16-18-5-3-2-4-6-18/h2-13H,15-16H2,1H3,(H,29,30)/b20-11+