compound 0068694

Properties Image MNX_ID MNXM1193805 reference envipathM:...836ab2a56f0d formula C17H23ClN2O4 global charge 0 mol weight 354.834 InChIKey WTESUGFZHBQDRE-UHFFFAOYSA-N InChI InChI=1S/C17H23ClN2O4/c1-10-8-12(18)9-11(2)13(10)17(23)14(21)16(19-15(17)22)4-6-20(24-3)7-5-16/h8-9,14,21,23H,4-7H2,1-3H3,(H,19,22) SMILES CON1CCC2(CC1)NC(=O)C(O)(C1=C(C)C=C(Cl)C=C1C)C2O MNX internals InChI (mnx) InChI=1/C17H23ClN2O4/c1-10-8-12(18)9-11(2)13(10)17(23)14(21)16(19-15(17)22)4-6-20(24-3)7-5-16/h8-9,14,21,23H,4-7H2,1-3H3,(H,19,22)/t14?,17? SMILES (mnx) [CH3:1][C:10]1=[CH:8][C:12]([Cl:18])=[CH:9][C:11]([CH3:2])=[C:13]1[C:17]1([OH:23])[CH:14]([OH:21])[C:16]2([CH2:4][CH2:6][N:20]([O:24][CH3:3])[CH2:7][CH2:5]2)[N:19]=[C:15]1[OH:22]

Parent-child relations graph

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