3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)benzoic acid CAS Name: 3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[(3-carbamimidoylphenoxy)methyl]-5-(4-carbamimidoylphenyl)benzoic acid Traditional Name: 3-[(3-amidinophenoxy)methyl]-5-(4-amidinophenyl)benzoic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c23-20(24)15-6-4-14(5-7-15)17-8-13(9-18(10-17)22(27)28)12-29-19-3-1-2-16(11-19)21(25)26/h1-11H,12H2,(H3,23,24)(H3,25,26)(H,27,28)