2-[(E)-4-[2-[4-azanyl-3-(trifluoromethyl)phenyl]ethyl-propyl-amino]but-2-enyl]isoindole-1,3-dione; ethanedioic acid

Systemtic Name: 2-[(E)-4-[2-[4-azanyl-3-(trifluoromethyl)phenyl]ethyl-propyl-amino]but-2-enyl]isoindole-1,3-dione; ethanedioic acid Openeye Name: 2-[(E)-4-[2-[4-amino-3-(trifluoromethyl)phenyl]ethyl-propyl-amino]but-2-enyl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[(E)-4-[2-[4-amino-3-(trifluoromethyl)phenyl]ethyl-propylamino]but-2-enyl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[(E)-4-[2-[4-amino-3-(trifluoromethyl)phenyl]ethyl-propylamino]but-2-enyl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[(E)-4-[2-[4-amino-3-(trifluoromethyl)phenyl]ethyl-propyl-amino]but-2-enyl]isoindoline-1,3-quinone; oxalic acid Formula: C26H28F3N3O6 MolecularWeight: 535.51223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC(=C(C=C1)N)C(F)(F)F)CC=CCN2C(=O)C3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCC1=CC(=C(C=C1)N)C(F)(F)F)C/C=C/CN2C(=O)C3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26F3N3O2.C2H2O4/c1-2-12-29(15-11-17-9-10-21(28)20(16-17)24(25,26)27)13-5-6-14-30-22(31)18-7-3-4-8-19(18)23(30)32;3-1(4)2(5)6/h3-10,16H,2,11-15,28H2,1H3;(H,3,4)(H,5,6)/b6-5+;