ethyl 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoate

Systemtic Name: ethyl 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoate CAS Name: 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]methyl]-2-benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoate Traditional Name: 3-[1-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]methyl]benzimidazol-2-yl]propionic acid ethyl ester Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)N(C(=N4)CC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC1=NC2=CC=CC=C2N1CC3=CC4=C(C=C3)N(C(=N4)CC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C29H30N6O2/c1-3-37-28(36)15-14-26-32-22-6-4-5-7-25(22)35(26)18-20-10-13-24-23(16-20)33-27(34(24)2)17-19-8-11-21(12-9-19)29(30)31/h4-13,16H,3,14-15,17-18H2,1-2H3,(H3,30,31)