methyl 3-[4-[4-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[4-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[4-(2-carbamimidoyl-4-diethylphosphorylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2-carbamimidoyl-4-diethylphosphorylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(2-amidino-4-diethylphosphoryl-phenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid methyl ester Formula: C25H31N4O3P MolecularWeight: 466.512401

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)C1=CC(=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)OC)C)C(=N)N

Isomeric SMILES

CCP(=O)(CC)C1=CC(=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)OC)C)C(=N)N

InChI

InChI=1S/C25H31N4O3P/c1-5-33(31,6-2)19-12-13-20(21(15-19)24(26)27)22-16-29(3)25(28-22)18-10-7-17(8-11-18)9-14-23(30)32-4/h7-8,10-13,15-16H,5-6,9,14H2,1-4H3,(H3,26,27)