tert-butyl [2-[(2-butyl-6-chloranyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[(2-butyl-6-chloranyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[(2-butyl-6-chloro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[(2-butyl-6-chloro-1-benzimidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[(2-butyl-6-chlorobenzimidazol-1-yl)methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-6-chloro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C29H31ClN2O3/c1-5-6-15-26-31-24-17-16-22(30)18-25(24)32(26)19-21-13-10-14-23(20-11-8-7-9-12-20)27(21)34-28(33)35-29(2,3)4/h7-14,16-18H,5-6,15,19H2,1-4H3