methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]butanoate hydrochloride

Systemtic Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]butanoate hydrochloride Openeye Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]butanoate hydrochloride CAS Name: 4-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]butanoate hydrochloride Traditional Name: 4-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]butyric acid methyl ester hydrochloride Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H24N4O3.ClH/c1-28-19(26)4-2-3-15-5-9-17(10-6-15)24-13-14-25(21(24)27)18-11-7-16(8-12-18)20(22)23;/h5-12H,2-4,13-14H2,1H3,(H3,22,23);1H