methyl 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)ethanoate hydroiodide

Systemtic Name: methyl 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)ethanoate hydroiodide Openeye Name: methyl 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)acetate hydroiodide CAS Name: 2-[[3-(4-carbamimidoylphenyl)-1-oxopropyl]amino]-2-(4-methylphenoxy)acetic acid methyl ester hydroiodide IUPAC Name: methyl 2-[3-(4-carbamimidoylphenyl)propanoylamino]-2-(4-methylphenoxy)acetate hydroiodide Traditional Name: 2-[3-(4-amidinophenyl)propanoylamino]-2-(4-methylphenoxy)acetic acid methyl ester hydroiodide Formula: C20H24IN3O4 MolecularWeight: 497.32673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C(=O)OC)NC(=O)CCC2=CC=C(C=C2)C(=N)N.I

Isomeric SMILES

CC1=CC=C(C=C1)OC(C(=O)OC)NC(=O)CCC2=CC=C(C=C2)C(=N)N.I

InChI

InChI=1S/C20H23N3O4.HI/c1-13-3-10-16(11-4-13)27-19(20(25)26-2)23-17(24)12-7-14-5-8-15(9-6-14)18(21)22;/h3-6,8-11,19H,7,12H2,1-2H3,(H3,21,22)(H,23,24);1H