methyl 2-azanyl-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate dihydrochloride

Systemtic Name: methyl 2-azanyl-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate dihydrochloride Openeye Name: methyl 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate dihydrochloride CAS Name: 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-amino-3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate dihydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]-2-amino-propionic acid methyl ester dihydrochloride Formula: C20H25Cl2N5O3 MolecularWeight: 454.3502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)N.Cl.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)N.Cl.Cl

InChI

InChI=1S/C20H23N5O3.2ClH/c1-28-19(26)17(21)12-13-2-6-15(7-3-13)24-10-11-25(20(24)27)16-8-4-14(5-9-16)18(22)23;;/h2-9,17H,10-12,21H2,1H3,(H3,22,23);2*1H