3-(3-carbamimidoylphenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-(2H-isoindol-5-yloxymethyl)benzoic acid Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=CC4=CNC=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=CC4=CNC=C4C=C3)C(=O)O

InChI

InChI=1S/C23H19N3O3/c24-22(25)16-3-1-2-15(8-16)18-6-14(7-19(9-18)23(27)28)13-29-21-5-4-17-11-26-12-20(17)10-21/h1-12,26H,13H2,(H3,24,25)(H,27,28)