4-[(4-carbamimidoylphenyl)carbonylamino]-2-(2-iodanylphenoxy)butanoic acid

Systemtic Name: 4-[(4-carbamimidoylphenyl)carbonylamino]-2-(2-iodanylphenoxy)butanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2-iodophenoxy)butanoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2-iodophenoxy)butanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2-iodophenoxy)butanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-2-(2-iodophenoxy)butyric acid Formula: C18H18IN3O4 MolecularWeight: 467.25769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O)I

Isomeric SMILES

C1=CC=C(C(=C1)OC(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O)I

InChI

InChI=1S/C18H18IN3O4/c19-13-3-1-2-4-14(13)26-15(18(24)25)9-10-22-17(23)12-7-5-11(6-8-12)16(20)21/h1-8,15H,9-10H2,(H3,20,21)(H,22,23)(H,24,25)