(-)-4'-methoxycyclopenine

Properties Image MNX_ID MNXM163929 reference chebi:193535 formula C18H16N2O4 global charge 0 mol weight 324.336 InChIKey SWIRFBNCYVYLDV-QAPCUYQASA-N InChI InChI=1S/C18H16N2O4/c1-20-16(21)13-5-3-4-6-14(13)19-17(22)18(20)15(24-18)11-7-9-12(23-2)10-8-11/h3-10,15H,1-2H3,(H,19,22)/t15-,18+/m1/s1 SMILES COC1=CC=C([C@H]2O[C@]23C(=O)NC2=CC=CC=C2C(=O)N3C)C=C1 MNX internals InChI (mnx) InChI=1/C18H16N2O4/c1-20-16(21)13-5-3-4-6-14(13)19-17(22)18(20)15(24-18)11-7-9-12(23-2)10-8-11/h3-10,15H,1-2H3,(H,19,22)/t15-,18+/m1/s1 SMILES (mnx) [CH3:1][N:20]1[C:16](=[O:21])[C:13]2=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]2[N:19]=[C:17]([OH:22])[C@@:18]12[C@@H:15]([C:11]1=[CH:8][CH:10]=[C:12]([O:23][CH3:2])[CH:9]=[CH:7]1)[O:24]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2