2-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenoxy]propanedioic acid

Systemtic Name: 2-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenoxy]propanedioic acid Openeye Name: 2-[3-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenoxy]propanedioic acid CAS Name: 2-[3-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenoxy]propanedioic acid IUPAC Name: 2-[3-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenoxy]propanedioic acid Traditional Name: 2-[3-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenoxy]malonic acid Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)OC(C(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)OC(C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N4O6/c20-16(21)11-4-6-12(7-5-11)22-8-9-23(19(22)28)13-2-1-3-14(10-13)29-15(17(24)25)18(26)27/h1-7,10,15H,8-9H2,(H3,20,21)(H,24,25)(H,26,27)