EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94683 - 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid

ChEBI IDCHEBI:94683
ChEBI Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid
Stars
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESCOc1ccc(C2(C#N)CCC(C(=O)O)CC2)cc1OC1CCCC1
InChIInChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
InChIKeyCFBUZOUXXHZCFB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid (CHEBI:94683) is a methoxybenzenes (CHEBI:51683)
Manual XrefsDatabases
LSM-5719LINCS