[3-[6-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[6-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-(1-hexyl-2-imidazolyl)-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(1-hexylimidazol-2-yl)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(1-hexylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CN=C1C2=CC3=C(C=C2)N=C(N3C4=C(C(=C(C=C4)C5=CC=CC=C5)OC(=O)O)C)CCC

Isomeric SMILES

CCCCCCN1C=CN=C1C2=CC3=C(C=C2)N=C(N3C4=C(C(=C(C=C4)C5=CC=CC=C5)OC(=O)O)C)CCC

InChI

InChI=1S/C33H36N4O3/c1-4-6-7-11-20-36-21-19-34-32(36)25-15-17-27-29(22-25)37(30(35-27)12-5-2)28-18-16-26(24-13-9-8-10-14-24)31(23(28)3)40-33(38)39/h8-10,13-19,21-22H,4-7,11-12,20H2,1-3H3,(H,38,39)