[3-[6-(1,2-dimethylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate

Systemtic Name: [3-[6-(1,2-dimethylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate Openeye Name: [3-[6-(1,2-dimethylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate hydrate CAS Name: carbonic acid [3-[6-(1,2-dimethyl-4-imidazolyl)-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester hydrate IUPAC Name: [3-[6-(1,2-dimethylimidazol-4-yl)-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate hydrate Traditional Name: carbonic acid [3-[6-(1,2-dimethylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester hydrate Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN(C(=N5)C)C)C.O

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C5=CN(C(=N5)C)C)C.O

InChI

InChI=1S/C30H30N4O3.H2O/c1-6-10-27-32-28-18(2)15-22(24-17-33(5)20(4)31-24)16-26(28)34(27)25-14-13-23(21-11-8-7-9-12-21)29(19(25)3)37-30(35)36;/h7-9,11-17H,6,10H2,1-5H3,(H,35,36);1H2