NSC9548

Molecular Formula: C₂₅H₃₂ClNO₈

InChI: InChI=1/C19H24ClNO.C6H8O7/c1-3-21(4-2)12-13-22-19-11-10-18(20)15-17(19)14-16-8-6-5-7-9-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11,15H,3-4,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/f/h;7,9,11H

InChIKey: InChIKey=WEIAUZTWMCEYMO-BGDPYBRRCX
SMILES: CCN(CC)CCOC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Names:
    NSC9548
    2-(2-benzyl-4-chloro-phenoxy)-N,N-diethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid

Registries:
    PubChem CID 222749
    PubChem ID 75010