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

Systemtic Name: cyclopentyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate Openeye Name: cyclopentyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]phenyl]propanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]phenyl]propionic acid cyclopentyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)CCC(=O)OC3CCCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N4O2/c1-29-16-22(18-11-13-19(14-12-18)24(26)27)28-25(29)20-9-6-17(7-10-20)8-15-23(30)31-21-4-2-3-5-21/h6-7,9-14,16,21H,2-5,8,15H2,1H3,(H3,26,27)