tert-butyl 2-[[2-tert-butyl-5-[[2-(1H-indazol-6-ylamino)pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(1H-indazol-6-ylamino)pyridin-3-yl]carbonylamino]phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(1H-indazol-6-ylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-tert-butyl-5-[[[2-(1H-indazol-6-ylamino)-3-pyridinyl]-oxomethyl]amino]phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-tert-butyl-5-[[2-(1H-indazol-6-ylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-tert-butyl-5-[[2-(1H-indazol-6-ylamino)nicotinoyl]amino]phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C33H40N6O4 MolecularWeight: 584.7085

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)NC3=CC4=C(C=C3)C=NN4)OCC5CCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NC3=CC4=C(C=C3)C=NN4)OCC5CCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C33H40N6O4/c1-32(2,3)26-14-13-23(18-28(26)42-20-24-9-8-16-39(24)31(41)43-33(4,5)6)37-30(40)25-10-7-15-34-29(25)36-22-12-11-21-19-35-38-27(21)17-22/h7,10-15,17-19,24H,8-9,16,20H2,1-6H3,(H,34,36)(H,35,38)(H,37,40)