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

Properties Image MNX_ID MNXM171728 reference chebi:100656 formula C22H25N3O3 global charge 0 mol weight 379.46 InChIKey IQHJIJSRQPJLPZ-DXIQSLLYSA-N InChI InChI=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 SMILES COC1=CC=CC=C1C1=CC=C([C@H]2[C@@H](C#N)N(C(=O)CN(C)C)[C@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH3:1][N:24]([CH3:2])[CH2:13][C:21]([N:25]1[C@H:18]([C:12]#[N:23])[C@H:22]([C:16]2=[CH:11][CH:9]=[C:15]([C:17]3=[CH:6][CH:4]=[CH:5][CH:7]=[C:20]3[O:28][CH3:3])[CH:8]=[CH:10]2)[C@@H:19]1[CH2:14][OH:26])=[O:27]

Parent-child relations graph

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