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

Systemtic Name: [4-[2-[(4-carbamimidoyl-2-methoxy-phenyl)carbonylamino]propanoyl]phenyl] ethaneperoxoate hydroiodide Openeye Name: [4-[2-[(4-carbamimidoyl-2-methoxy-benzoyl)amino]propanoyl]phenyl] peroxyacetate hydroiodide CAS Name: ethaneperoxoic 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] ethaneperoxoate hydroiodide Traditional Name: peracetic acid [4-[2-[(4-amidino-2-methoxy-benzoyl)amino]propanoyl]phenyl] ester hydroiodide Formula: C20H22IN3O6 MolecularWeight: 527.30965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6.HI/c1-11(18(25)13-4-7-15(8-5-13)29-28-12(2)24)23-20(26)16-9-6-14(19(21)22)10-17(16)27-3;/h4-11H,1-3H3,(H3,21,22)(H,23,26);1H