Conversion of IUPAC name into 2D structure

User cf163fb4ae

04-11-2011 14:11:27

What is the 2D structure of the 5-(3,4-methylenedioxyphenyl)-2E,4E-pentadienoic acid 4-cynomethylphenyl amide and 5-(3,4-methylenedioxyphenyl)-2E,4E-pentadienoic acid N-methyl piperazine amide.Please reply me soon as much as possible.



 



 



 



 

ChemAxon e7b9408ca1

09-11-2011 06:37:22

Dear anushree,


These names are relatively tricky, may I ask where they come from? Currently only our development version (future 5.8) can convert them.


So, according to name to structure in Marvin 5.8:



  1. 5-(3,4-methylenedioxyphenyl)-2E,4E-pentadienoic acid 4-cynomethylphenyl amide has this structure: O=C(NC1=CC=C(CC#N)C=C1)\C=C\C=C\C1=CC2=C(OCO2)C=C1 and I believe that this is correct.

  2. 5-(3,4-methylenedioxyphenyl)-2E,4E-pentadienoic acid N-methyl piperazine amide has this structure: CN(N1CCNCC1)C(=O)\C=C\C=C\C1=CC2=C(OCO2)C=C1 but it could arguably be considered ambiguous in the name which N atom the methyl group should connect to, or how the piperazine ring connects to the rest of the structure.


Best regards,


Daniel