3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl benzoate

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl benzoate Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl benzoate CAS Name: benzoic acid [3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]-1-oxopropoxy]methyl ester IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoyloxymethyl benzoate Traditional Name: benzoic acid 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OCOC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OCOC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H26N4O4/c1-32-17-24(20-12-14-21(15-13-20)26(29)30)31-27(32)22-10-7-19(8-11-22)9-16-25(33)35-18-36-28(34)23-5-3-2-4-6-23/h2-8,10-15,17H,9,16,18H2,1H3,(H3,29,30)