methyl 3-[(3H-benzimidazol-5-ylcarbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[(3H-benzimidazol-5-ylcarbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[(3H-benzimidazole-5-carbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[3H-benzimidazol-5-yl(oxo)methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3H-benzimidazole-5-carbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(3H-benzimidazole-5-carbonylamino)methyl]benzoic acid methyl ester Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C24H21N5O3/c1-32-24(31)19-8-14(7-18(10-19)15-3-2-4-16(9-15)22(25)26)12-27-23(30)17-5-6-20-21(11-17)29-13-28-20/h2-11,13H,12H2,1H3,(H3,25,26)(H,27,30)(H,28,29)