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

Systemtic Name: 2-[3-bromanyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[3-bromo-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetic acid Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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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)