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

Systemtic Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-3-methoxy-benzoate hydrochloride Openeye Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]-3-methoxy-benzoate hydrochloride CAS Name: 4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-3-methoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]-3-methoxybenzoate hydrochloride Traditional Name: 4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]-3-methoxy-benzoic acid methyl ester hydrochloride Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C19H20N4O4.ClH/c1-26-16-11-13(18(24)27-2)5-8-15(16)23-10-9-22(19(23)25)14-6-3-12(4-7-14)17(20)21;/h3-8,11H,9-10H2,1-2H3,(H3,20,21);1H