3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]pentanedioic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]pentanedioic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]pentanedioic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]pentanedioic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]pentanedioic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]glutaric acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)C(CC(=O)O)CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)C(CC(=O)O)CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H22N4O4/c1-26-12-18(14-4-6-15(7-5-14)21(23)24)25-22(26)16-8-2-13(3-9-16)17(10-19(27)28)11-20(29)30/h2-9,12,17H,10-11H2,1H3,(H3,23,24)(H,27,28)(H,29,30)