[2-[[2-butyl-6-(5-oxidanylideneoctylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-(5-oxidanylideneoctylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(5-oxooctylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(5-oxooctylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(5-oxooctylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(5-ketooctylamino)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)O)C4=CC=CC=C4)C=C(C=C2)NCCCCC(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3O4/c1-3-5-18-31-35-29-20-19-26(34-21-10-9-16-27(37)12-4-2)22-30(29)36(31)23-25-15-11-17-28(32(25)40-33(38)39)24-13-7-6-8-14-24/h6-8,11,13-15,17,19-20,22,34H,3-5,9-10,12,16,18,21,23H2,1-2H3,(H,38,39)