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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[[4-(methylamino)phenoxy]methyl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CNC1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C22H21N3O3/c1-25-19-5-7-20(8-6-19)28-13-14-9-17(12-18(10-14)22(26)27)15-3-2-4-16(11-15)21(23)24/h2-12,25H,13H2,1H3,(H3,23,24)(H,26,27)