[2-acetyloxy-5-carbamimidoyl-3-(4-oxidanylidenebutanoyl)-4-phenyl-phenyl] ethanoate hydroiodide

Systemtic Name: [2-acetyloxy-5-carbamimidoyl-3-(4-oxidanylidenebutanoyl)-4-phenyl-phenyl] ethanoate hydroiodide Openeye Name: [2-acetoxy-5-carbamimidoyl-3-(4-oxobutanoyl)-4-phenyl-phenyl] acetate hydroiodide CAS Name: acetic acid [2-acetyloxy-5-carbamimidoyl-3-(1,4-dioxobutyl)-4-phenylphenyl] ester hydroiodide IUPAC Name: [2-acetyloxy-5-carbamimidoyl-3-(4-oxobutanoyl)-4-phenylphenyl] acetate hydroiodide Traditional Name: acetic acid [2-acetoxy-5-amidino-3-(4-ketobutanoyl)-4-phenyl-phenyl] ester hydroiodide Formula: C21H21IN2O6 MolecularWeight: 524.30571

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C(=C1)C(=N)N)C2=CC=CC=C2)C(=O)CCC=O)OC(=O)C.I

Isomeric SMILES

CC(=O)OC1=C(C(=C(C(=C1)C(=N)N)C2=CC=CC=C2)C(=O)CCC=O)OC(=O)C.I

InChI

InChI=1S/C21H20N2O6.HI/c1-12(25)28-17-11-15(21(22)23)18(14-7-4-3-5-8-14)19(16(27)9-6-10-24)20(17)29-13(2)26;/h3-5,7-8,10-11H,6,9H2,1-2H3,(H3,22,23);1H