EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98918 - (2S,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:98918
ChEBI Name(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC18H18N2O2
Net Charge0
Average Mass294.354
Monoisotopic Mass294.13683
SMILESCOc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N[C@@H]2CO)cc1
InChIInChI=1S/C18H18N2O2/c1-22-17-5-3-2-4-14(17)12-6-8-13(9-7-12)18-15(10-19)20-16(18)11-21/h2-9,15-16,18,20-21H,11H2,1H3/t15-,16-,18-/m1/s1
InChIKeyBGJLKNVJWQWPQD-JFIYKMOQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile (CHEBI:98918) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-10297LINCS