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

Systemtic Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate Openeye Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid [2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-2-butyl-1-benzimidazolyl]methyl]-6-phenylphenyl] tert-butyl ester IUPAC Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C40H48N4O4 MolecularWeight: 648.83352

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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)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)NC(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C40H48N4O4/c1-5-6-15-35-42-33-17-16-31(41-37(45)43-40-22-26-18-27(23-40)20-28(19-26)24-40)21-34(33)44(35)25-30-13-10-14-32(29-11-8-7-9-12-29)36(30)47-38(46)48-39(2,3)4/h7-14,16-17,21,26-28H,5-6,15,18-20,22-25H2,1-4H3,(H2,41,43,45)