[3-(2-ethoxy-6-imidazo[1,2-a]pyridin-2-yl-4-methyl-benzimidazol-1-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate

Systemtic Name: [3-(2-ethoxy-6-imidazo[1,2-a]pyridin-2-yl-4-methyl-benzimidazol-1-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [3-(2-ethoxy-6-imidazo[1,2-a]pyridin-2-yl-4-methyl-benzimidazol-1-yl)-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [3-[2-ethoxy-6-(2-imidazo[1,2-a]pyridinyl)-4-methyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester hydrate IUPAC Name: [3-(2-ethoxy-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)-2-methyl-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [3-(2-ethoxy-6-imidazo[1,2-a]pyridin-2-yl-4-methyl-benzimidazol-1-yl)-2-methyl-6-phenyl-phenyl] ester hydrate Formula: C31H28N4O5 MolecularWeight: 536.57782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN6C=CC=CC6=N5)C.O

Isomeric SMILES

CCOC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN6C=CC=CC6=N5)C.O

InChI

InChI=1S/C31H26N4O4.H2O/c1-4-38-30-33-28-19(2)16-22(24-18-34-15-9-8-12-27(34)32-24)17-26(28)35(30)25-14-13-23(21-10-6-5-7-11-21)29(20(25)3)39-31(36)37;/h5-18H,4H2,1-3H3,(H,36,37);1H2