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

Systemtic Name: 2-[3-bromanyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate Formula: C19H18BrN2O4- MolecularWeight: 418.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4/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