Ibuprofen piconol

Properties Image MNX_ID MNXM57039 reference chebi:31685 formula C19H23NO2 global charge 0 mol weight 297.398 InChIKey ACEWLPOYLGNNHV-UHFFFAOYSA-N InChI InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3 SMILES CC(C)CC1=CC=C(C(C)C(=O)OCC2=CC=CC=N2)C=C1 MNX internals InChI (mnx) InChI=1/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15? SMILES (mnx) [CH3:1][CH:14]([CH3:2])[CH2:12][C:16]1=[CH:8][CH:10]=[C:17]([CH:15]([CH3:3])[C:19](=[O:21])[O:22][CH2:13][C:18]2=[CH:6][CH:4]=[CH:5][CH:11]=[N:20]2)[CH:9]=[CH:7]1

Parent-child relations graph

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