(E)-but-2-enedioic acid; 1-[2-(4-methyl-3-propyl-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-(4-methyl-3-propyl-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: fumaric acid; 1-[2-(4-methyl-3-propyl-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: (E)-2-butenedioic acid; 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(4-methyl-3-propylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: fumaric acid; 1-[2-(4-methyl-3-propyl-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C27H33F3N2O4 MolecularWeight: 506.55713

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29F3N2.C4H4O4/c1-3-5-20-16-19(9-8-18(20)2)10-11-27-12-14-28(15-13-27)22-7-4-6-21(17-22)23(24,25)26;5-3(6)1-2-4(7)8/h4,6-9,16-17H,3,5,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+