4-[4-[3-cyano-4-(2-methylbutoxy)phenyl]carbonyloxyphenyl]benzoic acid

Systemtic Name: 4-[4-[3-cyano-4-(2-methylbutoxy)phenyl]carbonyloxyphenyl]benzoic acid Openeye Name: 4-[4-[3-cyano-4-(2-methylbutoxy)benzoyl]oxyphenyl]benzoic acid CAS Name: 4-[4-[[3-cyano-4-(2-methylbutoxy)phenyl]-oxomethoxy]phenyl]benzoic acid IUPAC Name: 4-[4-[3-cyano-4-(2-methylbutoxy)benzoyl]oxyphenyl]benzoic acid Traditional Name: 4-[4-[3-cyano-4-(2-methylbutoxy)benzoyl]oxyphenyl]benzoic acid Formula: C26H23NO5 MolecularWeight: 429.46452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CCC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C26H23NO5/c1-3-17(2)16-31-24-13-10-21(14-22(24)15-27)26(30)32-23-11-8-19(9-12-23)18-4-6-20(7-5-18)25(28)29/h4-14,17H,3,16H2,1-2H3,(H,28,29)