3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzoic acid

Systemtic Name: 3-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzoic acid Openeye Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzoic acid CAS Name: 3-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzoic acid IUPAC Name: 3-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzoic acid Traditional Name: 3-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)OCC(CCC3=CN=CC=C3)O

InChI

InChI=1S/C22H21NO4/c24-20(9-6-16-3-2-12-23-14-16)15-27-21-10-7-17(8-11-21)18-4-1-5-19(13-18)22(25)26/h1-5,7-8,10-14,20,24H,6,9,15H2,(H,25,26)