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

Systemtic Name: tert-butyl 3-[[2-tert-butyl-5-[(2-fluoranylpyridin-3-yl)carbonylamino]phenoxy]methyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-tert-butyl-5-[(2-fluoropyridine-3-carbonyl)amino]phenoxy]methyl]azetidine-1-carboxylate CAS Name: 3-[[2-tert-butyl-5-[[(2-fluoro-3-pyridinyl)-oxomethyl]amino]phenoxy]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-tert-butyl-5-[(2-fluoropyridine-3-carbonyl)amino]phenoxy]methyl]azetidine-1-carboxylate Traditional Name: 3-[[2-tert-butyl-5-[(2-fluoronicotinoyl)amino]phenoxy]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C25H32FN3O4 MolecularWeight: 457.537683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)F)OCC3CN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)F)OCC3CN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32FN3O4/c1-24(2,3)19-10-9-17(28-22(30)18-8-7-11-27-21(18)26)12-20(19)32-15-16-13-29(14-16)23(31)33-25(4,5)6/h7-12,16H,13-15H2,1-6H3,(H,28,30)