3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]pentanedioic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]pentanedioic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]pentanedioic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]pentanedioic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]pentanedioic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]glutaric acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c22-20(23)14-3-7-17(8-4-14)25-10-9-24(21(25)30)16-5-1-13(2-6-16)15(11-18(26)27)12-19(28)29/h1-8,15H,9-12H2,(H3,22,23)(H,26,27)(H,28,29)