EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126508 - (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile

ChEBI IDCHEBI:126508
ChEBI Name(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
Stars
DownloadsMolfile
FormulaC20H24N2O3
Net Charge0
Average Mass340.423
Monoisotopic Mass340.17869
SMILESCOCC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CO
InChIInChI=1S/C20H24N2O3/c1-25-13-19(24)22-17(11-21)20(18(22)12-23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-10,17-18,20,23H,2-4,6,12-13H2,1H3/t17-,18+,20-/m1/s1
InChIKeyNSZKTJJQZYFHQH-WSTZPKSXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile (CHEBI:126508) is a azetidines (CHEBI:38777)
(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile (CHEBI:126508) is a benzenes (CHEBI:22712)
(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile (CHEBI:126508) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-38072LINCS