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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)Br

Isomeric SMILES

CCC1=CC(=CC(=C1OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)Br

InChI

InChI=1S/C19H19BrN2O4/c1-2-13-9-14(20)10-16(18(13)26-8-7-23)17(19(24)25)22-15-5-3-12(11-21)4-6-15/h3-6,9-10,17,22-23H,2,7-8H2,1H3,(H,24,25)/p-1