hexyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: hexyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: hexyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid hexyl ester IUPAC Name: hexyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid hexyl ester Formula: C34H41N5O3 MolecularWeight: 567.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=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

CCCCCCOC(=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/C34H41N5O3/c1-2-3-4-10-23-42-31(40)20-21-37-34(41)28-18-19-30-29(24-28)38-33(27-16-14-26(15-17-27)32(35)36)39(30)22-9-8-13-25-11-6-5-7-12-25/h5-7,11-12,14-19,24H,2-4,8-10,13,20-23H2,1H3,(H3,35,36)(H,37,41)