5-(1,3-benzodioxol-5-ylcarbonylamino)-2-(6-carbamimidoylnaphthalen-2-yl)oxy-benzoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylcarbonylamino)-2-(6-carbamimidoylnaphthalen-2-yl)oxy-benzoic acid Openeye Name: 5-(1,3-benzodioxole-5-carbonylamino)-2-[(6-carbamimidoyl-2-naphthyl)oxy]benzoic acid CAS Name: 5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-[(6-carbamimidoyl-2-naphthalenyl)oxy]benzoic acid IUPAC Name: 5-(1,3-benzodioxole-5-carbonylamino)-2-(6-carbamimidoylnaphthalen-2-yl)oxybenzoic acid Traditional Name: 2-(6-amidino-2-naphthoxy)-5-(piperonyloylamino)benzoic acid Formula: C26H19N3O6 MolecularWeight: 469.44556

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C26H19N3O6/c27-24(28)16-2-1-15-10-19(6-3-14(15)9-16)35-21-8-5-18(12-20(21)26(31)32)29-25(30)17-4-7-22-23(11-17)34-13-33-22/h1-12H,13H2,(H3,27,28)(H,29,30)(H,31,32)