compound 0289437

Properties Image MNX_ID MNXM1181680 reference envipathM:...c86207f1e886 formula C18H22N2O4 global charge 0 mol weight 330.384 InChIKey VQTIEIPYQTXETM-UHFFFAOYSA-N InChI InChI=1S/C18H22N2O4/c1-12(7-13(10-21)11-22)19-15-8-18(24)16(9-17(15)23)20-14-5-3-2-4-6-14/h2-6,8,10,12-13,16,19-20,22H,7,9,11H2,1H3 SMILES CC(CC(C=O)CO)NC1=CC(=O)C(NC2=CC=CC=C2)CC1=O MNX internals InChI (mnx) InChI=1/C18H22N2O4/c1-12(7-13(10-21)11-22)19-15-8-18(24)16(9-17(15)23)20-14-5-3-2-4-6-14/h2-6,8,10,12-13,16,19-20,22H,7,9,11H2,1H3/t12?,13?,16? SMILES (mnx) [CH3:1][CH:12]([CH2:7][CH:13]([CH:10]=[O:21])[CH2:11][OH:22])[NH:19][C:15]1=[CH:8][C:18](=[O:24])[CH:16]([NH:20][C:14]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[CH2:9][C:17]1=[O:23]

Parent-child relations graph

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