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CHEBI:101050 - (2S,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile

ChEBI IDCHEBI:101050
ChEBI Name(2S,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
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FormulaC22H25N3O3
Net Charge0
Average Mass379.460
Monoisotopic Mass379.18959
SMILESCOc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@@H]2CO)cc1
InChIInChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19-,22+/m1/s1
InChIKeyIQHJIJSRQPJLPZ-KNKQGSTJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile (CHEBI:101050) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-12423LINCS