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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NOC(=O)CC2=CC(=CC(=C2OCCO)I)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NOC(=O)CC2=CC(=CC(=C2OCCO)I)Cl

InChI

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