methyl 3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1-pyridin-2-yl-imidazolidin-4-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1-pyridin-2-yl-imidazolidin-4-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxo-1-(2-pyridyl)imidazolidin-4-yl]propanoate hydrochloride CAS Name: 3-[3-(4-carbamimidoylphenyl)-2-oxo-1-(2-pyridinyl)-4-imidazolidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-(4-carbamimidoylphenyl)-2-oxo-1-pyridin-2-ylimidazolidin-4-yl]propanoate hydrochloride Traditional Name: 3-[3-(4-amidinophenyl)-2-keto-1-(2-pyridyl)imidazolidin-4-yl]propionic acid methyl ester hydrochloride Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=CC=N3.Cl

Isomeric SMILES

COC(=O)CCC1CN(C(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=CC=N3.Cl

InChI

InChI=1S/C19H21N5O3.ClH/c1-27-17(25)10-9-15-12-23(16-4-2-3-11-22-16)19(26)24(15)14-7-5-13(6-8-14)18(20)21;/h2-8,11,15H,9-10,12H2,1H3,(H3,20,21);1H