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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-2-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethylimidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-phenethyl-imidazol-2-yl]phenyl]propionic acid methyl ester Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=NC(=CN2CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=NC(=CN2CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N4O2/c1-34-26(33)16-9-21-7-10-24(11-8-21)28-31-25(22-12-14-23(15-13-22)27(29)30)19-32(28)18-17-20-5-3-2-4-6-20/h2-8,10-15,19H,9,16-18H2,1H3,(H3,29,30)