methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H20N4O3.ClH/c1-27-18(25)11-4-14-2-7-16(8-3-14)23-12-13-24(20(23)26)17-9-5-15(6-10-17)19(21)22;/h2-3,5-10,12-13H,4,11H2,1H3,(H3,21,22);1H