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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethyl-2-(2-hydroxyethyloxy)-3-iodanyl-phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-iodo-phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-iodophenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-iodophenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-iodo-phenyl]acetate Formula: C19H18IN2O4- MolecularWeight: 465.26169

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)I)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC(=C(C(=C1)I)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H19IN2O4/c1-2-12-9-15(18(16(20)10-12)26-8-7-23)17(19(24)25)22-14-5-3-13(11-21)4-6-14/h3-6,9-10,17,22-23H,2,7-8H2,1H3,(H,24,25)/p-1