[3-[2-butyl-5-(2-methylpropanoylamino)imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-5-(2-methylpropanoylamino)imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-5-(2-methylpropanoylamino)imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-5-[(2-methyl-1-oxopropyl)amino]-3-imidazo[4,5-b]pyridinyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-5-(2-methylpropanoylamino)imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-5-(isobutyrylamino)imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)N=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C28H30N4O4/c1-5-6-12-24-29-21-14-16-23(31-27(33)17(2)3)30-26(21)32(24)22-15-13-20(19-10-8-7-9-11-19)25(18(22)4)36-28(34)35/h7-11,13-17H,5-6,12H2,1-4H3,(H,34,35)(H,30,31,33)