3-[[3-(aminomethyl)phenoxy]methyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[[3-(aminomethyl)phenoxy]methyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[[3-(aminomethyl)phenoxy]methyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[[3-(aminomethyl)phenoxy]methyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[[3-(aminomethyl)phenoxy]methyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[[3-(aminomethyl)phenoxy]methyl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c23-12-14-3-1-6-20(9-14)28-13-15-7-18(11-19(8-15)22(26)27)16-4-2-5-17(10-16)21(24)25/h1-11H,12-13,23H2,(H3,24,25)(H,26,27)