2-[3-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenoxy]propanedioic acid

Systemtic Name: 2-[3-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenoxy]propanedioic acid Openeye Name: 2-[3-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenoxy]propanedioic acid CAS Name: 2-[3-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenoxy]propanedioic acid IUPAC Name: 2-[3-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenoxy]propanedioic acid Traditional Name: 2-[3-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenoxy]malonic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-24-10-15(11-5-7-12(8-6-11)17(21)22)23-18(24)13-3-2-4-14(9-13)29-16(19(25)26)20(27)28/h2-10,16H,1H3,(H3,21,22)(H,25,26)(H,27,28)