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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl butanoate Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=O)CCC1=CC=C(C=C1)C2=NC(=CN2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC(=O)OCOC(=O)CCC1=CC=C(C=C1)C2=NC(=CN2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H28N4O4/c1-3-4-22(30)32-16-33-23(31)14-7-17-5-8-20(9-6-17)25-28-21(15-29(25)2)18-10-12-19(13-11-18)24(26)27/h5-6,8-13,15H,3-4,7,14,16H2,1-2H3,(H3,26,27)