methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-4-methyl-2-oxidanylidene-1H-imidazol-3-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-4-methyl-2-oxidanylidene-1H-imidazol-3-yl]propanoate hydrochloride Openeye Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-4-methyl-2-oxo-1H-imidazol-3-yl]propanoate hydrochloride CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-4-methyl-2-oxo-1H-imidazol-3-yl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)phenyl]-4-methyl-2-oxo-1H-imidazol-3-yl]propanoate hydrochloride Traditional Name: 3-[4-[4-(4-amidinophenyl)phenyl]-2-keto-5-methyl-4-imidazolin-1-yl]propionic acid methyl ester hydrochloride Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N1CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC1=C(NC(=O)N1CCC(=O)OC)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

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