[2-[(2-butyl-4-methyl-7-oxidanyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] methyl carbonate

Systemtic Name: [2-[(2-butyl-4-methyl-7-oxidanyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[(2-butyl-7-hydroxy-4-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[(2-butyl-7-hydroxy-4-methyl-1-benzimidazolyl)methyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[(2-butyl-7-hydroxy-4-methylbenzimidazol-1-yl)methyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[(2-butyl-7-hydroxy-4-methyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-4-5-14-23-28-24-18(2)15-16-22(30)25(24)29(23)17-20-12-9-13-21(19-10-7-6-8-11-19)26(20)33-27(31)32-3/h6-13,15-16,30H,4-5,14,17H2,1-3H3