methyl 3-[1-[2-bromanyl-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[2-bromanyl-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoate CAS Name: 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[4-(4-amidinophenyl)-2-bromo-phenyl]imidazol-4-yl]propionic acid methyl ester Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C=N1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br

Isomeric SMILES

COC(=O)CCC1=CN(C=N1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)Br

InChI

InChI=1S/C20H19BrN4O2/c1-27-19(26)9-7-16-11-25(12-24-16)18-8-6-15(10-17(18)21)13-2-4-14(5-3-13)20(22)23/h2-6,8,10-12H,7,9H2,1H3,(H3,22,23)