compound 0238039

Properties Image MNX_ID MNXM1195284 reference envipathM:...a300f80c2b7a formula C21H23NO4 global charge 0 mol weight 353.418 InChIKey NLQQZACGHBRJNT-UHFFFAOYSA-N InChI InChI=1S/C21H23NO4/c1-15(22(2)3)19(25)21(20(26)18(24)14-23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,23H,14H2,1-3H3 SMILES CC(C(=O)C(C(=O)C(=O)CO)(C1=CC=CC=C1)C1=CC=CC=C1)N(C)C MNX internals InChI (mnx) InChI=1/C21H23NO4/c1-15(22(2)3)19(25)21(20(26)18(24)14-23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,23H,14H2,1-3H3/t15? SMILES (mnx) [CH3:1][CH:15]([C:19]([C:21]([C:16]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1)([C:17]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[C:20]([C:18]([CH2:14][OH:23])=[O:24])=[O:26])=[O:25])[N:22]([CH3:2])[CH3:3]

Parent-child relations graph

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