2-[2-(carboxymethyloxy)-5-ethyl-3-propyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[2-(carboxymethyloxy)-5-ethyl-3-propyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[2-(carboxymethyloxy)-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[2-(carboxymethyloxy)-5-ethyl-3-propylphenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[2-(carboxymethyloxy)-5-ethyl-3-propylphenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[2-(carboxymethyloxy)-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetate Formula: C22H23N2O5- MolecularWeight: 395.42842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCC(=O)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCC(=O)O

InChI

InChI=1S/C22H24N2O5/c1-3-5-16-10-14(4-2)11-18(21(16)29-13-19(25)26)20(22(27)28)24-17-8-6-15(12-23)7-9-17/h6-11,20,24H,3-5,13H2,1-2H3,(H,25,26)(H,27,28)/p-1