CHEBI:102174 - (2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile

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ChEBI Name (2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile
ChEBI ID CHEBI:102174
Stars This entity has been manually annotated by a third party.
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Formula C22H26N2O3
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.19434
InChI InChI=1S/C22H26N2O3/c23-13-19-21(17-7-5-16(6-8-17)15-3-1-2-4-15)20(14-25)24(19)22(26)18-9-11-27-12-10-18/h3,5-8,18-21,25H,1-2,4,9-12,14H2/t19-,20+,21-/m0/s1
InChIKey RYSHWXRXFKBMCF-HBMCJLEFSA-N
SMILES C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4CCOCC4)CO
ChEBI Ontology
Outgoing (2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:102174) is a azetidines (CHEBI:38777)
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:102174) is a benzenes (CHEBI:22712)
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile (CHEBI:102174) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13532 LINCS
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