[(E)-3-phenylprop-2-enyl] 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: [(E)-cinnamyl] 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid [(E)-cinnamyl] ester Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCC=CC3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC/C=C/C3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H27N5O3/c1-33-24-14-13-22(18-23(24)32-27(33)21-11-9-20(10-12-21)26(29)30)28(35)31-16-15-25(34)36-17-5-8-19-6-3-2-4-7-19/h2-14,18H,15-17H2,1H3,(H3,29,30)(H,31,35)/b8-5+