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

Systemtic Name: cyclohexyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H30N4O2/c1-30-17-23(19-12-14-20(15-13-19)25(27)28)29-26(30)21-10-7-18(8-11-21)9-16-24(31)32-22-5-3-2-4-6-22/h7-8,10-15,17,22H,2-6,9,16H2,1H3,(H3,27,28)