tert-butyl [3-[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(3,3-dimethyl-1-piperidyl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-(3,3-dimethyl-1-piperidinyl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(3,3-dimethylpiperidino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C36H45N3O3 MolecularWeight: 567.7608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5CCCC(C5)(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C=C(C=C2)N5CCCC(C5)(C)C

InChI

InChI=1S/C36H45N3O3/c1-8-9-16-32-37-29-19-17-27(38-22-13-21-36(6,7)24-38)23-31(29)39(32)30-20-18-28(26-14-11-10-12-15-26)33(25(30)2)41-34(40)42-35(3,4)5/h10-12,14-15,17-20,23H,8-9,13,16,21-22,24H2,1-7H3