3-[(3-azanylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[(3-azanylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[(3-aminophenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[(3-aminophenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[(3-aminophenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(3-aminophenoxy)methyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=CC=CC(=C3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC(=CC(=C2)COC3=CC=CC(=C3)N)C(=O)O

InChI

InChI=1S/C21H19N3O3/c22-18-5-2-6-19(11-18)27-12-13-7-16(10-17(8-13)21(25)26)14-3-1-4-15(9-14)20(23)24/h1-11H,12,22H2,(H3,23,24)(H,25,26)