(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171445 reference chebi:95363 formula C19H22N2O global charge 0 mol weight 294.398 InChIKey ANDSQWRABKLSGR-GUDVDZBRSA-N InChI InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18-,19-/m1/s1 SMILES N#C[C@H]1N[C@H](CO)[C@@H]1C1=CC=C(C#CC2CCCCC2)C=C1 MNX internals InChI (mnx) InChI=1/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18-,19-/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:14]([C:6]#[C:7][C:15]2=[CH:9][CH:11]=[C:16]([C@@H:19]3[C@@H:17]([C:12]#[N:20])[NH:21][C@@H:18]3[CH2:13][OH:22])[CH:10]=[CH:8]2)[CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0