2-[3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)phenoxy]ethanoic acid Openeye Name: 2-[3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)phenoxy]acetic acid CAS Name: 2-[3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)phenoxy]acetic acid IUPAC Name: 2-[3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)phenoxy]acetic acid Traditional Name: 2-[3-[(3-amidinophenoxy)methyl]-5-(4-amidinophenyl)phenoxy]acetic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)C3=CC=C(C=C3)C(=N)N)OCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)C3=CC=C(C=C3)C(=N)N)OCC(=O)O)C(=N)N

InChI

InChI=1S/C23H22N4O4/c24-22(25)16-6-4-15(5-7-16)18-8-14(9-20(11-18)31-13-21(28)29)12-30-19-3-1-2-17(10-19)23(26)27/h1-11H,12-13H2,(H3,24,25)(H3,26,27)(H,28,29)