ethyl 4-[4-[4-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]fluoren-9-yl]butyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[4-[9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]fluoren-9-yl]butyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-[9-[oxo-(2,2,2-trifluoroethylamino)methyl]-9-fluorenyl]butyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperazino]benzoic acid ethyl ester Formula: C33H36F3N3O3 MolecularWeight: 579.65245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)NCC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)NCC(F)(F)F

InChI

InChI=1S/C33H36F3N3O3/c1-2-42-30(40)24-13-15-25(16-14-24)39-21-19-38(20-22-39)18-8-7-17-32(31(41)37-23-33(34,35)36)28-11-5-3-9-26(28)27-10-4-6-12-29(27)32/h3-6,9-16H,2,7-8,17-23H2,1H3,(H,37,41)