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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > 4-(3-hydroxypropyl)-2-[4-(1-pyrrolidinylmethyl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-2h-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 4-(3-hydroxypropyl)-2-[4-(1-pyrrolidinylmethyl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-2h-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > 4-(3-hydroxypropyl)-2-[4-(1-pyrrolidinylmethyl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-2h-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester

Preferred term

4-(3-hydroxypropyl)-2-[4-(1-pyrrolidinylmethyl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-2h-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H45F3N2O10S2

inchi

  • InChI=1S/C37H45F3N2O10S2/c1-53(46,47)19-17-50-35(44)32-22-28(8-6-16-43)23-34(30-12-10-27(11-13-30)24-41-14-3-4-15-41)42(26-33(32)36(45)51-18-20-54(2,48)49)25-29-7-5-9-31(21-29)52-37(38,39)40/h5,7,9-13,21-23,26,34,43H,3-4,6,8,14-20,24-25H2,1-2H3

inchikey

  • MNIDKIPJVGQOEN-UHFFFAOYSA-N

mass

  • 798.889

monoisotopicmass

  • 798.24677

smiles

  • CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=CC(=CC=C2)OC(F)(F)F)C3=CC=C(C=C3)CN4CCCC4)CCCO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125163

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