[3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-methyl-3-[4-methyl-2-propyl-6-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-(1-heptan-4-yl-4-imidazolyl)-4-methyl-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(1-heptan-4-ylimidazol-4-yl)-4-methyl-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-methyl-3-[4-methyl-2-propyl-6-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C35H40N4O3 MolecularWeight: 564.7171

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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(CCC)CCC)C

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(CCC)CCC)C

InChI

InChI=1S/C35H40N4O3/c1-6-12-27(13-7-2)38-21-29(36-22-38)26-19-23(4)33-31(20-26)39(32(37-33)14-8-3)30-18-17-28(25-15-10-9-11-16-25)34(24(30)5)42-35(40)41/h9-11,15-22,27H,6-8,12-14H2,1-5H3,(H,40,41)