3-[3-oxidanyl-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoic acid

Systemtic Name: 3-[3-oxidanyl-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoic acid Openeye Name: 3-[3-hydroxy-3-[3-(2-quinolylmethoxy)phenyl]propyl]benzoic acid CAS Name: 3-[3-hydroxy-3-[3-(2-quinolinylmethoxy)phenyl]propyl]benzoic acid IUPAC Name: 3-[3-hydroxy-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoic acid Traditional Name: 3-[3-hydroxy-3-[3-(2-quinolylmethoxy)phenyl]propyl]benzoic acid Formula: C26H23NO4 MolecularWeight: 413.46512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C(CCC4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C(CCC4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C26H23NO4/c28-25(14-11-18-5-3-8-21(15-18)26(29)30)20-7-4-9-23(16-20)31-17-22-13-12-19-6-1-2-10-24(19)27-22/h1-10,12-13,15-16,25,28H,11,14,17H2,(H,29,30)