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

Systemtic Name: cyclohexylmethyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate Openeye Name: cyclohexylmethyl 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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 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 cyclohexylmethyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OCC3CCCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OCC3CCCCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H32N4O2/c1-31-17-24(21-12-14-22(15-13-21)26(28)29)30-27(31)23-10-7-19(8-11-23)9-16-25(32)33-18-20-5-3-2-4-6-20/h7-8,10-15,17,20H,2-6,9,16,18H2,1H3,(H3,28,29)