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

Systemtic Name: [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-methyl-3-[4-methyl-6-(1-phenethyl-4-imidazolyl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C36H34N4O3 MolecularWeight: 570.68016

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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)CCC6=CC=CC=C6)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)CCC6=CC=CC=C6)C

InChI

InChI=1S/C36H34N4O3/c1-4-11-33-38-34-24(2)20-28(30-22-39(23-37-30)19-18-26-12-7-5-8-13-26)21-32(34)40(33)31-17-16-29(27-14-9-6-10-15-27)35(25(31)3)43-36(41)42/h5-10,12-17,20-23H,4,11,18-19H2,1-3H3,(H,41,42)