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

Systemtic Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxidanylidene-imidazol-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxo-imidazol-1-yl]propanoate hydrochloride CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxo-1-imidazolyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)cyclohexyl]-2-oxoimidazol-1-yl]propanoate hydrochloride Traditional Name: 3-[3-[4-(4-amidinophenyl)cyclohexyl]-2-keto-4-imidazolin-1-yl]propionic acid methyl ester hydrochloride Formula: C20H27ClN4O3 MolecularWeight: 406.90638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=CN(C1=O)C2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCN1C=CN(C1=O)C2CCC(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H26N4O3.ClH/c1-27-18(25)10-11-23-12-13-24(20(23)26)17-8-6-15(7-9-17)14-2-4-16(5-3-14)19(21)22;/h2-5,12-13,15,17H,6-11H2,1H3,(H3,21,22);1H