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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C)NC(=O)CC

Isomeric SMILES

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C)NC(=O)CC

InChI

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