tert-butyl 2-[[2-tert-butyl-5-[(2-fluoranylpyridin-3-yl)carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-tert-butyl-5-[(2-fluoranylpyridin-3-yl)carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-tert-butyl-5-[(2-fluoropyridine-3-carbonyl)amino]phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-tert-butyl-5-[[(2-fluoro-3-pyridinyl)-oxomethyl]amino]phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-tert-butyl-5-[(2-fluoropyridine-3-carbonyl)amino]phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-tert-butyl-5-[(2-fluoronicotinoyl)amino]phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H34FN3O4 MolecularWeight: 471.564263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)F)OCC3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)F)OCC3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C26H34FN3O4/c1-25(2,3)20-12-11-17(29-23(31)19-10-7-13-28-22(19)27)15-21(20)33-16-18-9-8-14-30(18)24(32)34-26(4,5)6/h7,10-13,15,18H,8-9,14,16H2,1-6H3,(H,29,31)