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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(prop-2-enylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-(allylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[[oxo-(prop-2-enylamino)methyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(prop-2-enylcarbamoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid [2-[[6-(allylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C33H38N4O4 MolecularWeight: 554.67922

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C33H38N4O4/c1-6-8-17-29-36-27-19-18-25(35-31(38)34-20-7-2)21-28(27)37(29)22-24-15-12-16-26(23-13-10-9-11-14-23)30(24)40-32(39)41-33(3,4)5/h7,9-16,18-19,21H,2,6,8,17,20,22H2,1,3-5H3,(H2,34,35,38)