4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-oxo-pentanoic acid CAS Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-oxopentanoic acid IUPAC Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-oxopentanoic acid Traditional Name: 4-[[4-(4-cyanophenyl)phenoxy]methyl]-5-ethoxy-5-keto-valeric acid Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C(CCC(=O)O)COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO5/c1-2-26-21(25)18(9-12-20(23)24)14-27-19-10-7-17(8-11-19)16-5-3-15(13-22)4-6-16/h3-8,10-11,18H,2,9,12,14H2,1H3,(H,23,24)