tert-butyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 2-[[2,8-bis(trifluoromethyl)-4-quinolinyl]-hydroxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 2-[[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H24F6N2O3 MolecularWeight: 478.427979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C22H24F6N2O3/c1-20(2,3)33-19(32)30-10-5-4-9-15(30)18(31)13-11-16(22(26,27)28)29-17-12(13)7-6-8-14(17)21(23,24)25/h6-8,11,15,18,31H,4-5,9-10H2,1-3H3