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

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

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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)I

Isomeric SMILES

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

InChI

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