3-[(2-azanylpyridin-3-yl)oxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[(2-azanylpyridin-3-yl)oxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[(2-amino-3-pyridyl)oxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[(2-amino-3-pyridinyl)oxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[(2-aminopyridin-3-yl)oxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(2-amino-3-pyridyl)oxymethyl]benzoic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=C(N=CC=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=C(N=CC=C3)N)C(=O)O

InChI

InChI=1S/C20H18N4O3/c21-18(22)14-4-1-3-13(9-14)15-7-12(8-16(10-15)20(25)26)11-27-17-5-2-6-24-19(17)23/h1-10H,11H2,(H3,21,22)(H2,23,24)(H,25,26)