methyl 2-[2-[2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]ethanoylamino]ethoxy]benzoate

Systemtic Name: methyl 2-[2-[2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]ethanoylamino]ethoxy]benzoate Openeye Name: methyl 2-[2-[[2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]acetyl]amino]ethoxy]benzoate CAS Name: 2-[2-[[2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1-imidazolyl]-1-oxoethyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[[2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)imidazol-1-yl]acetyl]amino]ethoxy]benzoate Traditional Name: 2-[2-[[2-[2-(6-amidino-1H-benzimidazol-2-yl)imidazol-1-yl]acetyl]amino]ethoxy]benzoic acid methyl ester Formula: C23H23N7O4 MolecularWeight: 461.47322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OCCNC(=O)CN2C=CN=C2C3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1OCCNC(=O)CN2C=CN=C2C3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C23H23N7O4/c1-33-23(32)15-4-2-3-5-18(15)34-11-9-26-19(31)13-30-10-8-27-22(30)21-28-16-7-6-14(20(24)25)12-17(16)29-21/h2-8,10,12H,9,11,13H2,1H3,(H3,24,25)(H,26,31)(H,28,29)