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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[[4-(dimethylamino)phenoxy]methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[[4-(dimethylamino)phenoxy]methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[4-(dimethylamino)phenoxy]methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[[4-(dimethylamino)phenoxy]methyl]benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[[4-(dimethylamino)phenoxy]methyl]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c1-26(2)20-6-8-21(9-7-20)29-14-15-10-18(13-19(11-15)23(27)28)16-4-3-5-17(12-16)22(24)25/h3-13H,14H2,1-2H3,(H3,24,25)(H,27,28)