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CHEBI:63753 - 1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferrocene

ChEBI IDCHEBI:63753
ChEBI Name1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferrocene
Stars
DefinitionA ferrocene complex in which one of the cyclopentadienyl rings is substituted with a dimethylcarbamoyl group while the other carries a 4-carboxybutanamido group.
Last Modified26 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H22FeN2O4
Net Charge0
Average Mass386.229
Monoisotopic Mass386.09289
SMILESCN(C)C(=O)[C]12[CH]3[CH]4[CH]5[CH]1[Fe]45321678[CH]2[CH]1[CH]6[C]7(NC(=O)CCCC(=O)O)[CH]28
InChIInChI=1S/C10H12NO3.C8H10NO.Fe/c12-9(6-3-7-10(13)14)11-8-4-1-2-5-8;1-9(2)8(10)7-5-3-4-6-7;/h1-2,4-5H,3,6-7H2,(H,11,12)(H,13,14);3-6H,1-2H3;
InChIKeyNLQYMKZSSTTWRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-carboxybutanamido)-1'-(dimethylcarbamoyl)ferrocene (CHEBI:63753) is a ferrocenes (CHEBI:51005)
IUPAC Name 
{(1,2,3,4,5-η)-1-(4-carboxybutanamido)cyclopentadienyl}[(1,2,3,4,5-η)-1-(dimethylcarbamoyl)cyclopentadienyl]iron
Synonyms  Source
1-[(4-carboxybutanoyl)amino]-1'-[(dimethylamino)carbonyl]ferroceneChEBI
1-[(4-carboxy-1-oxobutyl)amino]-1'-[(dimethylamino)carbonyl]ferroceneChEBI
Registry NumbersSources
Reaxys:17813908Reaxys
Citations