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

Systemtic Name: tert-butyl 3-[[2-tert-butyl-5-[[2-(pyridin-4-ylmethylamino)pyridin-3-yl]carbonylamino]phenoxy]methyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-tert-butyl-5-[[2-(4-pyridylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]azetidine-1-carboxylate CAS Name: 3-[[2-tert-butyl-5-[[oxo-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]methyl]amino]phenoxy]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-tert-butyl-5-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]phenoxy]methyl]azetidine-1-carboxylate Traditional Name: 3-[[2-tert-butyl-5-[[2-(4-pyridylmethylamino)nicotinoyl]amino]phenoxy]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C31H39N5O4 MolecularWeight: 545.67246

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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)NCC3=CC=NC=C3)OCC4CN(C4)C(=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)OCC4CN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H39N5O4/c1-30(2,3)25-10-9-23(16-26(25)39-20-22-18-36(19-22)29(38)40-31(4,5)6)35-28(37)24-8-7-13-33-27(24)34-17-21-11-14-32-15-12-21/h7-16,22H,17-20H2,1-6H3,(H,33,34)(H,35,37)