2-[(4-carbamimidoylphenyl)amino]-2-[5-chloranyl-2-(2-hydroxyethyloxy)-3-iodanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-chloranyl-2-(2-hydroxyethyloxy)-3-iodanyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-iodo-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-iodophenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-iodophenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-iodo-phenyl]acetic acid Formula: C17H17ClIN3O4 MolecularWeight: 489.69205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(C2=CC(=CC(=C2OCCO)I)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(C2=CC(=CC(=C2OCCO)I)Cl)C(=O)O

InChI

InChI=1S/C17H17ClIN3O4/c18-10-7-12(15(13(19)8-10)26-6-5-23)14(17(24)25)22-11-3-1-9(2-4-11)16(20)21/h1-4,7-8,14,22-23H,5-6H2,(H3,20,21)(H,24,25)