compound 0215789

Properties Image MNX_ID MNXM1184418 reference envipathM:...9a80c9e2d3d9 formula C17H22N2O4 global charge 0 mol weight 318.373 InChIKey FUQGSDMGMWNLQS-UHFFFAOYSA-N InChI InChI=1S/C17H22N2O4/c1-11-4-3-5-12(10-20)13(11)14-15(21)17(18-16(14)22)6-8-19(23-2)9-7-17/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,18,22) SMILES CON1CCC2(CC1)NC(=O)C(C1=C(C=O)C=CC=C1C)C2O MNX internals InChI (mnx) InChI=1/C17H22N2O4/c1-11-4-3-5-12(10-20)13(11)14-15(21)17(18-16(14)22)6-8-19(23-2)9-7-17/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,18,22)/t14?,15? SMILES (mnx) [CH3:1][C:11]1=[C:13]([CH:14]2[CH:15]([OH:21])[C:17]3([CH2:6][CH2:8][N:19]([O:23][CH3:2])[CH2:9][CH2:7]3)[N:18]=[C:16]2[OH:22])[C:12]([CH:10]=[O:20])=[CH:5][CH:3]=[CH:4]1

Parent-child relations graph

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