3-[1-[2-bromanyl-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[2-bromanyl-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[2-bromo-4-(4-carbamimidoylphenyl)phenyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[4-(4-amidinophenyl)-2-bromo-phenyl]imidazol-4-yl]propionic acid Formula: C19H17BrN4O2 MolecularWeight: 413.26788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C=C2)N3C=C(N=C3)CCC(=O)O)Br)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)N3C=C(N=C3)CCC(=O)O)Br)C(=N)N

InChI

InChI=1S/C19H17BrN4O2/c20-16-9-14(12-1-3-13(4-2-12)19(21)22)5-7-17(16)24-10-15(23-11-24)6-8-18(25)26/h1-5,7,9-11H,6,8H2,(H3,21,22)(H,25,26)