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

Systemtic Name: tert-butyl [2-[(2-butyl-4-cyano-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[(2-butyl-4-cyano-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[(2-butyl-4-cyano-1-benzimidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[(2-butyl-4-cyanobenzimidazol-1-yl)methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-4-cyano-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H31N3O3/c1-5-6-18-26-32-27-22(19-31)14-11-17-25(27)33(26)20-23-15-10-16-24(21-12-8-7-9-13-21)28(23)35-29(34)36-30(2,3)4/h7-17H,5-6,18,20H2,1-4H3