methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-1H-imidazol-5-yl]propanoate

Systemtic Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-1H-imidazol-5-yl]propanoate Openeye Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-1H-imidazol-5-yl]propanoate CAS Name: 3-[4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-phenethyl-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-1H-imidazol-5-yl]propanoate Traditional Name: 3-[4-[6-(4-amidinophenyl)pyridazin-3-yl]-2-phenethyl-1H-imidazol-5-yl]propionic acid methyl ester Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(N=C(N1)CCC2=CC=CC=C2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=C(N=C(N1)CCC2=CC=CC=C2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H26N6O2/c1-34-24(33)16-14-21-25(30-23(29-21)15-7-17-5-3-2-4-6-17)22-13-12-20(31-32-22)18-8-10-19(11-9-18)26(27)28/h2-6,8-13H,7,14-16H2,1H3,(H3,27,28)(H,29,30)