methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-iodo-phenoxy]acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]-2-iodophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2-iodophenoxy]acetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]ethyl]-2-iodo-phenoxy]acetic acid methyl ester Formula: C19H20IN3O4 MolecularWeight: 481.28427

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N)I

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C(=N)N)I

InChI

InChI=1S/C19H20IN3O4/c1-26-17(24)11-27-16-7-2-12(10-15(16)20)8-9-23-19(25)14-5-3-13(4-6-14)18(21)22/h2-7,10H,8-9,11H2,1H3,(H3,21,22)(H,23,25)