2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-1,3-benzodioxol-5-yl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H17N3O5/c23-20(24)12-5-7-13(8-6-12)25-21(26)17-10-19-18(29-11-30-19)9-16(17)14-3-1-2-4-15(14)22(27)28/h1-10H,11H2,(H3,23,24)(H,25,26)(H,27,28)