tert-butyl 5-azanyl-8-butyl-2,7-bis(fluoranyl)-6-piperidin-1-yl-9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]-9H-fluorene-4-carboxylate

Systemtic Name: tert-butyl 5-azanyl-8-butyl-2,7-bis(fluoranyl)-6-piperidin-1-yl-9-[2,2,2-tris(fluoranyl)ethylcarbamoyl]-9H-fluorene-4-carboxylate Openeye Name: tert-butyl 5-amino-8-butyl-2,7-difluoro-6-(1-piperidyl)-9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluorene-4-carboxylate CAS Name: 5-amino-8-butyl-2,7-difluoro-9-[oxo-(2,2,2-trifluoroethylamino)methyl]-6-(1-piperidinyl)-9H-fluorene-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-8-butyl-2,7-difluoro-6-piperidin-1-yl-9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluorene-4-carboxylate Traditional Name: 5-amino-8-butyl-2,7-difluoro-6-piperidino-9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluorene-4-carboxylic acid tert-butyl ester Formula: C30H36F5N3O3 MolecularWeight: 581.617156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1C(C3=C2C(=CC(=C3)F)C(=O)OC(C)(C)C)C(=O)NCC(F)(F)F)N)N4CCCCC4)F

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1C(C3=C2C(=CC(=C3)F)C(=O)OC(C)(C)C)C(=O)NCC(F)(F)F)N)N4CCCCC4)F

InChI

InChI=1S/C30H36F5N3O3/c1-5-6-10-17-21-22(27(39)37-15-30(33,34)35)18-13-16(31)14-19(28(40)41-29(2,3)4)20(18)23(21)25(36)26(24(17)32)38-11-8-7-9-12-38/h13-14,22H,5-12,15,36H2,1-4H3,(H,37,39)