Arhalofenate (USAN/INN)

Properties Image MNX_ID MNXM42585 reference keggD:D09579 formula C19H17ClF3NO4 global charge 0 mol weight 415.795 InChIKey BJBCSGQLZQGGIQ-QGZVFWFLSA-N InChI InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1 SMILES CC(=O)NCCOC(=O)[C@H](OC1=CC(C(F)(F)F)=CC=C1)C1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1 SMILES (mnx) [CH3:1][C:12](=[N:24][CH2:9][CH2:10][O:27][C:18]([C@@H:17]([C:13]1=[CH:6][CH:8]=[C:15]([Cl:20])[CH:7]=[CH:5]1)[O:28][C:16]1=[CH:4][CH:2]=[CH:3][C:14]([C:19]([F:21])([F:22])[F:23])=[CH:11]1)=[O:26])[OH:25]

Parent-child relations graph

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