[4-[2-[(4-carbamimidoyl-2-methoxy-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate hydroiodide

Systemtic Name: [4-[2-[(4-carbamimidoyl-2-methoxy-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate hydroiodide Openeye Name: [4-[2-[(4-carbamimidoyl-2-methoxy-benzoyl)amino]propanoyl]phenyl] butaneperoxoate hydroiodide CAS Name: butaneperoxoic acid [4-[2-[[(4-carbamimidoyl-2-methoxyphenyl)-oxomethyl]amino]-1-oxopropyl]phenyl] ester hydroiodide IUPAC Name: [4-[2-[(4-carbamimidoyl-2-methoxybenzoyl)amino]propanoyl]phenyl] butaneperoxoate hydroiodide Traditional Name: peroxybutyric acid [4-[2-[(4-amidino-2-methoxy-benzoyl)amino]propanoyl]phenyl] ester hydroiodide Formula: C22H26IN3O6 MolecularWeight: 555.36281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C(=N)N)OC.I

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C(=N)N)OC.I

InChI

InChI=1S/C22H25N3O6.HI/c1-4-5-19(26)31-30-16-9-6-14(7-10-16)20(27)13(2)25-22(28)17-11-8-15(21(23)24)12-18(17)29-3;/h6-13H,4-5H2,1-3H3,(H3,23,24)(H,25,28);1H