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

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-3-ethyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[2-(2-amino-2-oxo-ethoxy)-5-bromo-3-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[2-(2-amino-2-oxoethoxy)-5-bromo-3-ethylphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[2-(2-amino-2-oxoethoxy)-5-bromo-3-ethylphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[2-(2-amino-2-keto-ethoxy)-5-bromo-3-ethyl-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C19H18BrN3O4 MolecularWeight: 432.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OCC(=O)N)C(C(=O)O)NC2=CC=C(C=C2)C#N)Br

Isomeric SMILES

CCC1=CC(=CC(=C1OCC(=O)N)C(C(=O)O)NC2=CC=C(C=C2)C#N)Br

InChI

InChI=1S/C19H18BrN3O4/c1-2-12-7-13(20)8-15(18(12)27-10-16(22)24)17(19(25)26)23-14-5-3-11(9-21)4-6-14/h3-8,17,23H,2,10H2,1H3,(H2,22,24)(H,25,26)