methyl 3-[[7-bromanyl-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[7-bromanyl-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-7-bromo-3H-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5O3/c1-28-15(26)6-7-23-19(27)12-8-13(20)16-14(9-12)24-18(25-16)11-4-2-10(3-5-11)17(21)22/h2-5,8-9H,6-7H2,1H3,(H3,21,22)(H,23,27)(H,24,25)