tert-butyl 2-[[2-tert-butyl-5-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-tert-butyl-5-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-tert-butyl-5-[[2-(4-pyridylmethylamino)nicotinoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C32H41N5O4 MolecularWeight: 559.69904

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)NCC3=CC=NC=C3)OCC4CCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)OCC4CCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N5O4/c1-31(2,3)26-12-11-23(19-27(26)40-21-24-9-8-18-37(24)30(39)41-32(4,5)6)36-29(38)25-10-7-15-34-28(25)35-20-22-13-16-33-17-14-22/h7,10-17,19,24H,8-9,18,20-21H2,1-6H3,(H,34,35)(H,36,38)