methyl 3-[[(6-azanylpyridin-3-yl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[[(6-azanylpyridin-3-yl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[[(6-aminopyridine-3-carbonyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[(6-amino-3-pyridinyl)-oxomethyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(6-aminopyridine-3-carbonyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(6-aminonicotinoyl)amino]methyl]benzoic acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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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=CN=C(C=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-30-22(29)18-8-13(11-27-21(28)16-5-6-19(23)26-12-16)7-17(10-18)14-3-2-4-15(9-14)20(24)25/h2-10,12H,11H2,1H3,(H2,23,26)(H3,24,25)(H,27,28)