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

Systemtic Name: ethyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate hydrochloride Openeye Name: ethyl 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 ethyl ester hydrochloride IUPAC Name: ethyl 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 ethyl ester hydrochloride Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3.ClH/c1-2-28-19(26)12-5-15-3-8-17(9-4-15)24-13-14-25(21(24)27)18-10-6-16(7-11-18)20(22)23;/h3-4,6-11,13-14H,2,5,12H2,1H3,(H3,22,23);1H