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

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]cyclohexyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]cyclohexyl]propionic acid methyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1CCC(CC1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H26N4O2/c1-26-18(25)11-4-13-2-5-16(6-3-13)20-23-12-17(24-20)14-7-9-15(10-8-14)19(21)22/h7-10,12-13,16H,2-6,11H2,1H3,(H3,21,22)(H,23,24)