Citalopram propionic acid

Properties Image MNX_ID MNXM11123 reference chebi:80605 formula C18H14FNO3 global charge 0 mol weight 311.312 InChIKey JSYNRZJODZWUKX-UHFFFAOYSA-N InChI InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22) SMILES N#CC1=CC2=C(C=C1)C(CCC(=O)O)(C1=CC=C(F)C=C1)OC2 MNX internals InChI (mnx) InChI=1/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)/t18? SMILES (mnx) [CH:1]1=[CH:6][C:16]2=[C:13]([CH:9]=[C:12]1[C:10]#[N:20])[CH2:11][O:23][C:18]2([CH2:8][CH2:7][C:17](=[O:21])[OH:22])[C:14]1=[CH:3][CH:5]=[C:15]([F:19])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0