(2R,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile

Properties Image MNX_ID MNXM170851 reference chebi:97551 formula C24H22N2O3 global charge 0 mol weight 386.451 InChIKey VFHDDKSZNLSDOB-FUDKSRODSA-N InChI InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23-/m0/s1 SMILES COC1=CC=CC=C1C#CC1=CC=C([C@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23-/m0/s1 SMILES (mnx) [CH3:1][O:29][C:22]1=[CH:5][CH:3]=[CH:2][CH:4]=[C:17]1[C:9]#[C:6][C:16]1=[CH:8][CH:11]=[C:18]([C@H:23]2[C@H:20]([C:14]#[N:25])[N:26]([C:24]([CH:19]3[CH2:12][CH2:13]3)=[O:28])[C@H:21]2[CH2:15][OH:27])[CH:10]=[CH:7]1

Parent-child relations graph

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