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

Systemtic Name: [2-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-5-methyl-6-(1-oxopentylamino)-3-imidazo[4,5-b]pyridinyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-5-methyl-6-(valerylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-6-phenyl-phenyl] ester Formula: C30H34N4O4 MolecularWeight: 514.61536

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O4/c1-4-6-16-26-32-25-18-24(33-27(35)17-7-5-2)20(3)31-29(25)34(26)19-22-14-11-15-23(28(22)38-30(36)37)21-12-9-8-10-13-21/h8-15,18H,4-7,16-17,19H2,1-3H3,(H,33,35)(H,36,37)