dimethyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methoxy-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methoxy-benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methoxy-benzene-1,2-dicarboxylate CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-methoxybenzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methoxybenzene-1,2-dicarboxylate Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-methoxy-benzene-1,2-dicarboxylic acid dimethyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C(=O)OC)C(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=C(C=CC(=C1C(=O)OC)C(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O6/c1-29-17-15(9-8-14(19(26)30-2)16(17)20(27)31-3)25-11-10-24(21(25)28)13-6-4-12(5-7-13)18(22)23/h4-9H,10-11H2,1-3H3,(H3,22,23)