methyl 3-[[(2-azanylpyridin-3-yl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[[(2-azanylpyridin-3-yl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[[(2-aminopyridine-3-carbonyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[(2-amino-3-pyridinyl)-oxomethyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-aminopyridine-3-carbonyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(2-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=C(N=CC=C3)N

Isomeric SMILES

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

InChI

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