3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]-1-oxopropoxy]methyl ester IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoyloxymethyl ester Formula: C34H39N5O5 MolecularWeight: 597.70396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCCC4=CC=CC=C4

InChI

InChI=1S/C34H39N5O5/c1-34(2,3)33(42)44-22-43-29(40)18-19-37-32(41)26-16-17-28-27(21-26)38-31(25-14-12-24(13-15-25)30(35)36)39(28)20-8-7-11-23-9-5-4-6-10-23/h4-6,9-10,12-17,21H,7-8,11,18-20,22H2,1-3H3,(H3,35,36)(H,37,41)