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

Systemtic Name: butyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid butyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCCCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H27N5O3/c1-3-4-13-31-20(29)11-12-26-23(30)17-9-10-19-18(14-17)27-22(28(19)2)16-7-5-15(6-8-16)21(24)25/h5-10,14H,3-4,11-13H2,1-2H3,(H3,24,25)(H,26,30)