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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-iodanyl-2-(2-phenylmethoxyethoxy)phenyl]ethanoate Openeye Name: 2-[2-(2-benzyloxyethoxy)-3-ethyl-5-iodo-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetate Traditional Name: 2-[2-(2-benzoxyethoxy)-3-ethyl-5-iodo-phenyl]-2-(4-cyanoanilino)acetate Formula: C26H24IN2O4- MolecularWeight: 555.38423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCOCC2=CC=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N)I

Isomeric SMILES

CCC1=CC(=CC(=C1OCCOCC2=CC=CC=C2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N)I

InChI

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