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

Systemtic Name: [2-[[4-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [2-[[4-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-4-(1-oxobutylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[4-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-4-butyramido-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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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=CC=C2NC(=O)CCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC=C2NC(=O)CCC

InChI

InChI=1S/C33H39N3O4/c1-6-8-21-28-35-30-26(34-29(37)14-7-2)19-13-20-27(30)36(28)22-24-17-12-18-25(23-15-10-9-11-16-23)31(24)39-32(38)40-33(3,4)5/h9-13,15-20H,6-8,14,21-22H2,1-5H3,(H,34,37)