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

Systemtic Name: [5-ethyl-3-iodanyl-2-(2-phenylmethoxyethoxy)phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [2-(2-benzyloxyethoxy)-5-ethyl-3-iodo-phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [5-ethyl-3-iodo-2-(2-phenylmethoxyethoxy)phenyl] ester IUPAC Name: [5-ethyl-3-iodo-2-(2-phenylmethoxyethoxy)phenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [2-(2-benzoxyethoxy)-5-ethyl-3-iodo-phenyl] ester Formula: C26H25IN2O4 MolecularWeight: 556.39217

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)I)OCCOCC2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=C(C(=C1)I)OCCOCC2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H25IN2O4/c1-2-19-14-23(27)26(32-13-12-31-18-21-6-4-3-5-7-21)24(15-19)33-25(30)17-29-22-10-8-20(16-28)9-11-22/h3-11,14-15,29H,2,12-13,17-18H2,1H3