2,2,2-tris(fluoranyl)ethanoic acid; [2,2,2-tris(fluoranyl)ethylamino]methyl 2-(2-phenyl-2-piperazin-1-yl-piperidin-1-yl)ethanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoic acid; [2,2,2-tris(fluoranyl)ethylamino]methyl 2-(2-phenyl-2-piperazin-1-yl-piperidin-1-yl)ethanoate Openeye Name: 2,2,2-trifluoroacetic acid; (2,2,2-trifluoroethylamino)methyl 2-(2-phenyl-2-piperazin-1-yl-1-piperidyl)acetate CAS Name: 2-[2-phenyl-2-(1-piperazinyl)-1-piperidinyl]acetic acid (2,2,2-trifluoroethylamino)methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: 2,2,2-trifluoroacetic acid; (2,2,2-trifluoroethylamino)methyl 2-(2-phenyl-2-piperazin-1-ylpiperidin-1-yl)acetate Traditional Name: 2-(2-phenyl-2-piperazino-piperidino)acetic acid (2,2,2-trifluoroethylamino)methyl ester; 2,2,2-trifluoroacetic acid Formula: C22H30F6N4O4 MolecularWeight: 528.488419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=CC=CC=C2)N3CCNCC3)CC(=O)OCNCC(F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C(C1)(C2=CC=CC=C2)N3CCNCC3)CC(=O)OCNCC(F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H29F3N4O2.C2HF3O2/c21-20(22,23)15-25-16-29-18(28)14-27-11-5-4-8-19(27,17-6-2-1-3-7-17)26-12-9-24-10-13-26;3-2(4,5)1(6)7/h1-3,6-7,24-25H,4-5,8-16H2;(H,6,7)