tert-butyl [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-5-[[butylamino(oxo)methyl]amino]-1-imidazo[4,5-b]pyridinyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C33H41N5O4 MolecularWeight: 571.70974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=CC(=N2)NC(=O)NCCCC

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=CC(=N2)NC(=O)NCCCC

InChI

InChI=1S/C33H41N5O4/c1-7-9-16-28-37-30-26(19-20-27(35-30)36-31(39)34-21-10-8-2)38(28)25-18-17-24(23-14-12-11-13-15-23)29(22(25)3)41-32(40)42-33(4,5)6/h11-15,17-20H,7-10,16,21H2,1-6H3,(H2,34,35,36,39)