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

Systemtic Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2,8-bis(trifluoromethyl)-4-quinolinyl]-hydroxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2,8-bis(trifluoromethyl)-4-quinolyl]-hydroxy-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H22F6N2O3 MolecularWeight: 464.401399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C21H22F6N2O3/c1-19(2,3)32-18(31)29-9-5-8-14(29)17(30)12-10-15(21(25,26)27)28-16-11(12)6-4-7-13(16)20(22,23)24/h4,6-7,10,14,17,30H,5,8-9H2,1-3H3