2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-iodo-phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]-2-iodophenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-iodophenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]ethyl]-2-iodo-phenoxy]acetic acid Formula: C18H18IN3O4 MolecularWeight: 467.25769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NCCC2=CC(=C(C=C2)OCC(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)NCCC2=CC(=C(C=C2)OCC(=O)O)I

InChI

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