methyl 2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl-(phenylcarbonyl)amino]ethanoate

Systemtic Name: methyl 2-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl-(phenylcarbonyl)amino]ethanoate Openeye Name: methyl 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]ethyl]amino]acetate CAS Name: 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzoyl-[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]ethyl]amino]acetate Traditional Name: 2-[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]ethyl-benzoyl-amino]acetic acid methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCN1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN(CCN1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O4/c1-31-19(28)15-26(21(29)17-5-3-2-4-6-17)12-11-25-13-14-27(22(25)30)18-9-7-16(8-10-18)20(23)24/h2-10H,11-15H2,1H3,(H3,23,24)