repaglinide aromatic amine

Properties Image MNX_ID MNXM160818 reference chebi:175057 formula C22H28N2O4 global charge 0 mol weight 384.476 InChIKey OSCVKZCOJUTUFD-UHFFFAOYSA-N InChI InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27) SMILES CCOC1=C(C(=O)O)C=CC(CC(=O)NC(CC(C)C)C2=C(N)C=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/t19? SMILES (mnx) [CH3:1][CH2:4][O:28][C:20]1=[C:17]([C:22](=[O:26])[OH:27])[CH:10]=[CH:9][C:15]([CH2:13][C:21](=[N:24][CH:19]([CH2:11][CH:14]([CH3:2])[CH3:3])[C:16]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:18]2[NH2:23])[OH:25])=[CH:12]1

Parent-child relations graph

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