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

Systemtic Name: [3-ethyl-5-iodanyl-2-(2-phenylmethoxyethoxy)phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [2-(2-benzyloxyethoxy)-3-ethyl-5-iodo-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [3-ethyl-5-iodo-2-(2-phenylmethoxyethoxy)phenyl] ester IUPAC Name: [3-ethyl-5-iodo-2-(2-phenylmethoxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [2-(2-benzoxyethoxy)-3-ethyl-5-iodo-phenyl] ester Formula: C26H28IN3O4 MolecularWeight: 573.42269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCOCC2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C(=N)N)I

Isomeric SMILES

CCC1=CC(=CC(=C1OCCOCC2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C(=N)N)I

InChI

InChI=1S/C26H28IN3O4/c1-2-19-14-21(27)15-23(25(19)33-13-12-32-17-18-6-4-3-5-7-18)34-24(31)16-30-22-10-8-20(9-11-22)26(28)29/h3-11,14-15,30H,2,12-13,16-17H2,1H3,(H3,28,29)