tert-butyl [2-[[2-butyl-6-[ethanoyl(octyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-[ethanoyl(octyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-[acetyl(octyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [2-[[6-[acetyl(octyl)amino]-2-butyl-1-benzimidazolyl]methyl]-6-phenylphenyl] tert-butyl ester IUPAC Name: [2-[[6-[acetyl(octyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-[acetyl(octyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C39H51N3O4 MolecularWeight: 625.83994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC2=C(C=C1)N=C(N2CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)CCCC)C(=O)C

Isomeric SMILES

CCCCCCCCN(C1=CC2=C(C=C1)N=C(N2CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)CCCC)C(=O)C

InChI

InChI=1S/C39H51N3O4/c1-7-9-11-12-13-17-26-41(29(3)43)32-24-25-34-35(27-32)42(36(40-34)23-10-8-2)28-31-21-18-22-33(30-19-15-14-16-20-30)37(31)45-38(44)46-39(4,5)6/h14-16,18-22,24-25,27H,7-13,17,23,26,28H2,1-6H3