methyl 4-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]ethyl]benzoate CAS Name: 4-[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]ethyl]benzoic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCN2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCN2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O3/c1-27-19(25)16-4-2-14(3-5-16)10-11-23-12-13-24(20(23)26)17-8-6-15(7-9-17)18(21)22/h2-9H,10-13H2,1H3,(H3,21,22)