methyl 3-[5-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxo-imidazolidin-1-yl]propanoate hydrochloride CAS Name: 3-[5-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[5-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]propanoate hydrochloride Traditional Name: 3-[5-[4-(4-amidinophenyl)cyclohexyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester hydrochloride Formula: C20H29ClN4O3 MolecularWeight: 408.92226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(CNC1=O)C2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCN1C(CNC1=O)C2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H28N4O3.ClH/c1-27-18(25)10-11-24-17(12-23-20(24)26)15-6-2-13(3-7-15)14-4-8-16(9-5-14)19(21)22;/h4-5,8-9,13,15,17H,2-3,6-7,10-12H2,1H3,(H3,21,22)(H,23,26);1H