methyl 3-[(2H-benzotriazol-5-ylcarbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[(2H-benzotriazol-5-ylcarbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[(2H-benzotriazole-5-carbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[2H-benzotriazol-5-yl(oxo)methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2H-benzotriazole-5-carbonylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(2H-benzotriazole-5-carbonylamino)methyl]benzoic acid methyl ester Formula: C23H20N6O3 MolecularWeight: 428.4433

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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=NNN=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C23H20N6O3/c1-32-23(31)18-8-13(7-17(10-18)14-3-2-4-15(9-14)21(24)25)12-26-22(30)16-5-6-19-20(11-16)28-29-27-19/h2-11H,12H2,1H3,(H3,24,25)(H,26,30)(H,27,28,29)