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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C(=O)N1C2CCCCC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1=CN(C(=O)N1C2CCCCC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H26N4O3.ClH/c1-27-18(25)12-11-17-13-23(15-9-7-14(8-10-15)19(21)22)20(26)24(17)16-5-3-2-4-6-16;/h7-10,13,16H,2-6,11-12H2,1H3,(H3,21,22);1H