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

Systemtic Name: [2-[[6-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [2-[[6-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-(1-oxobutylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-6-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=C(C=C2)NC(=O)CCC

Isomeric SMILES

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

InChI

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