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

Systemtic Name: [5-chloranyl-3-iodanyl-2-(2-phenylmethoxyethoxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [2-(2-benzyloxyethoxy)-5-chloro-3-iodo-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-chloro-3-iodo-2-(2-phenylmethoxyethoxy)phenyl] ester IUPAC Name: [5-chloro-3-iodo-2-(2-phenylmethoxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [2-(2-benzoxyethoxy)-5-chloro-3-iodo-phenyl] ester Formula: C24H23ClIN3O4 MolecularWeight: 579.81459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCOC2=C(C=C(C=C2OC(=O)CNC3=CC=C(C=C3)C(=N)N)Cl)I

Isomeric SMILES

C1=CC=C(C=C1)COCCOC2=C(C=C(C=C2OC(=O)CNC3=CC=C(C=C3)C(=N)N)Cl)I

InChI

InChI=1S/C24H23ClIN3O4/c25-18-12-20(26)23(32-11-10-31-15-16-4-2-1-3-5-16)21(13-18)33-22(30)14-29-19-8-6-17(7-9-19)24(27)28/h1-9,12-13,29H,10-11,14-15H2,(H3,27,28)