tert-butyl [3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[2-butyl-6-(4-methyl-1-piperidyl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[2-butyl-6-(4-methyl-1-piperidinyl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[2-butyl-6-(4-methylpiperidino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C35H43N3O3 MolecularWeight: 553.73422

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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)N5CCC(CC5)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)N5CCC(CC5)C

InChI

InChI=1S/C35H43N3O3/c1-7-8-14-32-36-29-17-15-27(37-21-19-24(2)20-22-37)23-31(29)38(32)30-18-16-28(26-12-10-9-11-13-26)33(25(30)3)40-34(39)41-35(4,5)6/h9-13,15-18,23-24H,7-8,14,19-22H2,1-6H3