3-[[2-(aminomethyl)phenoxy]-(3-carbamimidoylphenyl)methyl]benzoic acid

Systemtic Name: 3-[[2-(aminomethyl)phenoxy]-(3-carbamimidoylphenyl)methyl]benzoic acid Openeye Name: 3-[[2-(aminomethyl)phenoxy]-(3-carbamimidoylphenyl)methyl]benzoic acid CAS Name: 3-[[2-(aminomethyl)phenoxy]-(3-carbamimidoylphenyl)methyl]benzoic acid IUPAC Name: 3-[[2-(aminomethyl)phenoxy]-(3-carbamimidoylphenyl)methyl]benzoic acid Traditional Name: 3-[(3-amidinophenyl)-[2-(aminomethyl)phenoxy]methyl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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