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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl 2-methylpropanoate Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoyloxymethyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4/c1-16(2)25(31)33-15-32-22(30)13-6-17-4-7-20(8-5-17)24-28-21(14-29(24)3)18-9-11-19(12-10-18)23(26)27/h4-5,7-12,14,16H,6,13,15H2,1-3H3,(H3,26,27)