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CHEBI:100355 - (2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile
| Formula | C20H18N2O2 |
| Net Charge | 0 |
| Average Mass | 318.376 |
| Monoisotopic Mass | 318.13683 |
| SMILES | COc1cccc(C#Cc2ccc([C@H]3[C@@H](C#N)N[C@@H]3CO)cc2)c1 |
| InChI | InChI=1S/C20H18N2O2/c1-24-17-4-2-3-15(11-17)6-5-14-7-9-16(10-8-14)20-18(12-21)22-19(20)13-23/h2-4,7-11,18-20,22-23H,13H2,1H3/t18-,19-,20+/m1/s1 |
| InChIKey | XRGAKVKGJSFEJA-AQNXPRMDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:100355) is a azetidines (CHEBI:38777) |
| (2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:100355) is a benzenes (CHEBI:22712) |
| (2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:100355) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11730 | LINCS |