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

Systemtic Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[6-[[(1-adamantylamino)-oxomethyl]amino]-2-butyl-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-(1-adamantylcarbamoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[6-(1-adamantylcarbamoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C36H40N4O4 MolecularWeight: 592.7272

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H40N4O4/c1-2-3-12-32-38-30-14-13-28(37-34(41)39-36-19-23-15-24(20-36)17-25(16-23)21-36)18-31(30)40(32)22-27-10-7-11-29(33(27)44-35(42)43)26-8-5-4-6-9-26/h4-11,13-14,18,23-25H,2-3,12,15-17,19-22H2,1H3,(H,42,43)(H2,37,39,41)