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

Systemtic Name: [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-5-[[butylamino(oxo)methyl]amino]-1-imidazo[4,5-b]pyridinyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-5-(butylcarbamoylamino)imidazo[4,5-b]pyridin-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C29H33N5O4 MolecularWeight: 515.60342

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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)O)C)C=CC(=N2)NC(=O)NCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O4/c1-4-6-13-25-33-27-23(16-17-24(31-27)32-28(35)30-18-7-5-2)34(25)22-15-14-21(20-11-9-8-10-12-20)26(19(22)3)38-29(36)37/h8-12,14-17H,4-7,13,18H2,1-3H3,(H,36,37)(H2,30,31,32,35)