cyclooctyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate

Systemtic Name: cyclooctyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate Openeye Name: cyclooctyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid cyclooctyl ester IUPAC Name: cyclooctyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid cyclooctyl ester Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCCCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCCCCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H34N4O2/c1-32-19-25(21-14-16-22(17-15-21)27(29)30)31-28(32)23-12-9-20(10-13-23)11-18-26(33)34-24-7-5-3-2-4-6-8-24/h9-10,12-17,19,24H,2-8,11,18H2,1H3,(H3,29,30)