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

Systemtic Name: [2-[[5-(butanoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[5-(butanoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[5-(1-oxobutylamino)-2-propyl-3-imidazo[4,5-b]pyridinyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[5-(butanoylamino)-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(5-butyramido-2-propyl-imidazo[4,5-b]pyridin-3-yl)methyl]-6-phenyl-phenyl] ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)N=C(C=C2)NC(=O)CCC

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)N=C(C=C2)NC(=O)CCC

InChI

InChI=1S/C27H28N4O4/c1-3-9-23-28-21-15-16-22(29-24(32)10-4-2)30-26(21)31(23)17-19-13-8-14-20(25(19)35-27(33)34)18-11-6-5-7-12-18/h5-8,11-16H,3-4,9-10,17H2,1-2H3,(H,33,34)(H,29,30,32)