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

Systemtic Name: [3-[6-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-(1-cyclopropyl-2-imidazolyl)-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(1-cyclopropylimidazol-2-yl)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(1-cyclopropylimidazol-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C30H28N4O3 MolecularWeight: 492.56832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C5=NC=CN5C6CC6

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C5=NC=CN5C6CC6

InChI

InChI=1S/C30H28N4O3/c1-3-7-27-32-24-14-10-21(29-31-16-17-33(29)22-11-12-22)18-26(24)34(27)25-15-13-23(20-8-5-4-6-9-20)28(19(25)2)37-30(35)36/h4-6,8-10,13-18,22H,3,7,11-12H2,1-2H3,(H,35,36)